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4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

ABSTRACT: In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02?(9)°. in the crystal, weak inter-molecular N-H?N inter-actions link pairs of molecules into centrosymmetric dimers.

SUBMITTER: Shi HB

PROVIDER: S-EPMC3051713 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

Shi Hai-Bo HB Xu Feng F Li Hai-Bo HB Hu Wei-Xiao WX

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02 (9)°. in the crystal, weak inter-molecular N-H⋯N inter-actions link pairs of molecules into centrosymmetric dimers. ...[more]

PMID: 21522952

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N-(3-Meth-oxy-phen-yl)-4-{4-methyl-2-[(meth-yl)(4-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}pyrimidin-2-amine.

Project description:The asymmetric unit of the title compound, C(23)H(23)N(5)OS, contains two independent mol-ecules. In one mol-ecule, the thia-zole and pyrimidine rings are almost co-planar, making a dihedral angle of 2.48?(8)°. In the other mol-ecule, the corresponding dihedral angle is 12.82?(8)°. The crystal structure is stabilized by weak inter-molecular N-H?N and C-H?O inter-actions that extend along the b axis.

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Project description:In the title compound, C(22)H(19)Cl(2)N(5)S, the thia-zole and pyrimidine rings are almost co-planar, making a dihedral angle of 6.48?(7)°. In the crystal, intermolecular N-H?N hydrogen bonds link pairs of molecules into centrosymmetric dimers..

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N-(2,4-Dichloro-phen-yl)-1,3-thia-zol-2-amine.

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{3-[(2-Chloro-1,3-thia-zol-4-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene-amino}-formonitrile.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the dihedral angle between the thia-zolidine ring (r.m.s. deviation = 0.028 Å) and the thia-zole ring (r.m.s. deviation = 0.004 Å) is 74.74 (6)°. The formonitrile group is almost coplanar with the attached ring [C-N-C-N torsion angle = 167 (2)°.

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Project description:In the title compound, C12H12N2OS, the dihedral angle between the benzene and thia-zole rings is 83.5?(7)°. The acetamide group is almost coplanar with the thia-zole ring, being twisted from it by 4.2?(9)°. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers, generating R 2 (2)[8] loops; the dimers are stacked along [001].

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Project description:In the title compound, C21H14BrNO2S, the dihedral angle between the planes of the benzo-thia-zole and phenyl-methanone groups is 63.4 (2)°. In the crystal, pairs of C-H⋯N hydrogen bonds link the mol-ecules to form inversion dimers, which are further linked by C-H⋯O inter-actions into chains along the c axis. C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.863 (1) Å] further stabilize the mol-ecular assembly.

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{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-fluoro-phen-yl}(4-chloro-phen-yl)methanone.

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Crystal structure of N,N,N-tris-[(1,3-benzo-thia-zol-2-yl)meth-yl]amine.

Project description:The title compound, C24H18N4S3, exhibits three near planar benzo-thia-zole systems in a pseudo-C 3 conformation. The dihedral angles between the planes of the benzo-thia-zole groups range from 112.56 (4) to 124.68 (4)° In the crystal, mol-ecules are connected to each other through three short C-H⋯N contacts, forming an infinite chain along [100]. The molecules are also linked by π-π interactions with each of the three five-membered thiazole rings. [inter-centroid distance range: 3.614 (1)-4.074 (1) Å, inter-planar distance range: 3.4806 (17)-3.6902 (15) Å, slippage range: 0.759 (3)-1.887 (3) Å].

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N-(4-Meth-oxy-phen-yl)-N'-(5-nitro-1,3-thia-zol-2-yl)urea.

Project description:The title compound, C(11)H(10)N(4)O(4)S, is a derivative of N-(4-meth-oxy-benz-yl)-N'-(5-nitro-1,3-thia-zol-2-yl)urea (AR-A014418), a known glycogen synthase kinase 3β (GSK-3β) inhibitor. All non-H atoms in the mol-ecule are essentially coplanar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.115 (2) Å for the carbonyl O atom. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds into one-dimensional chains along [101].

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