2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

C13H11ClN2O3S — CID 63724956

IUPAC2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2cccc(Cl)c2C(=O)O)s1
InChIInChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-9-5-3-4-8(14)10(9)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeySVMHPKYDUQQRRD-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 63724956) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID63724956
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2cccc(Cl)c2C(=O)O)s1
InChIInChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-9-5-3-4-8(14)10(9)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeySVMHPKYDUQQRRD-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

N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119437898
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 63724956) is 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1nc(C)c(C(=O)Nc2cccc(Cl)c2C(=O)O)s1.
What is the InChIKey of 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is SVMHPKYDUQQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-6-11(20-7(2)15-6)12(17)16-9-5-3-4-8(14)10(9)13(18)19/h3-5H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
2-chloro-6-[(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 2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63724956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).