[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone

C18H16ClN3OS — CID 46285852

IUPAC[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(C)c(Nc2nc(N)c(C(=O)c3cccc(Cl)c3)s2)c1
InChIInChI=1S/C18H16ClN3OS/c1-10-6-7-11(2)14(8-10)21-18-22-17(20)16(24-18)15(23)12-4-3-5-13(19)9-12/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeyKTJSVNDEJFSITK-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.97
Rot. Bonds4

About [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone

[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone (PubChem CID 46285852) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
PubChem CID46285852
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(C)c(Nc2nc(N)c(C(=O)c3cccc(Cl)c3)s2)c1
InChIInChI=1S/C18H16ClN3OS/c1-10-6-7-11(2)14(8-10)21-18-22-17(20)16(24-18)15(23)12-4-3-5-13(19)9-12/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeyKTJSVNDEJFSITK-UHFFFAOYSA-N
XLogP4.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(4-chloro-2-methylanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285848
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
[4-amino-2-(4-chloro-2-methylanilino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
CID 46285794
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
CID 46285749
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 23102164
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
[4-amino-2-(2-methoxyanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 50761442

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone (CID 46285852) is [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone is Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3cccc(Cl)c3)s2)c1.
What is the InChIKey of [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The InChIKey is KTJSVNDEJFSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-6-7-11(2)14(8-10)21-18-22-17(20)16(24-18)15(23)12-4-3-5-13(19)9-12/h3-9H,20H2,1-2H3,(H,21,22).
What are the key properties of [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone has a molecular weight of 357.87 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 46285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).