5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid

C11H10ClN3O2S — CID 107193541

IUPAC5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1csc(Nc2c(Cl)cc(N)cc2C(=O)O)n1
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-18-11(14-5)15-9-7(10(16)17)2-6(13)3-8(9)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyCPZHLUUKDCXJHO-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid

5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 107193541) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID107193541
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1csc(Nc2c(Cl)cc(N)cc2C(=O)O)n1
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-18-11(14-5)15-9-7(10(16)17)2-6(13)3-8(9)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyCPZHLUUKDCXJHO-UHFFFAOYSA-N
XLogP3.13
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-2-(3-bromo-4-methylanilino)-3-chlorobenzoic acid
CID 107195858
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
CID 107192996
2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
CID 43332285
5-amino-3-chloro-2-(pyridin-3-ylamino)benzoic acid
CID 107192541
N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43093599
5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
CID 107464497
5-amino-3-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107800499
5-amino-3-chloro-2-(3-methylsulfanylanilino)benzoic acid
CID 107192597

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid (CID 107193541) is 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid is Cc1csc(Nc2c(Cl)cc(N)cc2C(=O)O)n1.
What is the InChIKey of 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is CPZHLUUKDCXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-5-4-18-11(14-5)15-9-7(10(16)17)2-6(13)3-8(9)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 283.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 107193541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).