2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

C13H13ClN2O2S — CID 62765645

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)Cc2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(12(17)18)19-13(15-8)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyRENPASDUXNSFEG-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.44
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765645) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765645
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)Cc2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(12(17)18)19-13(15-8)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyRENPASDUXNSFEG-UHFFFAOYSA-N
XLogP3.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid 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

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767766
2-[(4-chlorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112599
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
CID 13144636
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 94761338
2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765133
2-[(4-methoxyphenyl)methyl-(methylamino)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 174791244
4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765287
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979407

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765645) is 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)Cc2ccc(Cl)cc2)sc1C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is RENPASDUXNSFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-11(12(17)18)19-13(15-8)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).