4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide

C17H15ClN4OS — CID 23102164

IUPAC4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C17H15ClN4OS/c1-10-7-8-11(18)9-13(10)21-16(23)14-15(19)22-17(24-14)20-12-5-3-2-4-6-12/h2-9H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyBYTNVHCZNCPTGM-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.68
Rot. Bonds4

About 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide

4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 23102164) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID23102164
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C17H15ClN4OS/c1-10-7-8-11(18)9-13(10)21-16(23)14-15(19)22-17(24-14)20-12-5-3-2-4-6-12/h2-9H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyBYTNVHCZNCPTGM-UHFFFAOYSA-N
XLogP4.68
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142497
4-amino-N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670547
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
CID 46285852
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 23102164) is 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1sc(Nc2ccccc2)nc1N.
What is the InChIKey of 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BYTNVHCZNCPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-10-7-8-11(18)9-13(10)21-16(23)14-15(19)22-17(24-14)20-12-5-3-2-4-6-12/h2-9H,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23102164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).