5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

C13H11ClN2O3S — CID 43092330

IUPAC5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)O)s1
InChIInChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-10-4-3-8(14)5-9(10)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeyAOKQRBSUVGIPPR-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 43092330) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID43092330
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)O)s1
InChIInChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-10-4-3-8(14)5-9(10)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeyAOKQRBSUVGIPPR-UHFFFAOYSA-N
XLogP3.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 66864550
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52647652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 43092330) is 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)O)s1.
What is the InChIKey of 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is AOKQRBSUVGIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-10-4-3-8(14)5-9(10)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 310.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43092330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).