4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C12H13ClN4OS — CID 116668442

IUPAC4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C12H13ClN4OS/c1-17(2)12-16-10(14)9(19-12)11(18)15-8-5-3-4-7(13)6-8/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyPWZCILZCGFLYLJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.70
Rot. Bonds3

About 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668442) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668442
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C12H13ClN4OS/c1-17(2)12-16-10(14)9(19-12)11(18)15-8-5-3-4-7(13)6-8/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyPWZCILZCGFLYLJ-UHFFFAOYSA-N
XLogP2.70
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663930
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-N-(3-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668436
4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 107806799
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116668450
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116668442) is 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PWZCILZCGFLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-17(2)12-16-10(14)9(19-12)11(18)15-8-5-3-4-7(13)6-8/h3-6H,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).