4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid

C13H14N2O2S — CID 62963351

IUPAC4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
SMILESCCc1csc(Nc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C13H14N2O2S/c1-3-9-7-18-13(14-9)15-10-4-5-11(12(16)17)8(2)6-10/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVKPPSSIHVYPVKF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.46
Rot. Bonds4

About 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid

4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid (PubChem CID 62963351) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
PubChem CID62963351
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
SMILESCCc1csc(Nc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C13H14N2O2S/c1-3-9-7-18-13(14-9)15-10-4-5-11(12(16)17)8(2)6-10/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVKPPSSIHVYPVKF-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 79398841
1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 84570012
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 62962247
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 136958715
methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
1-[4-[[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17392489
2-ethyl-4-(1,3-thiazol-2-ylamino)benzoic acid
CID 87550849

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid (CID 62963351) is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid is CCc1csc(Nc2ccc(C(=O)O)c(C)c2)n1.
What is the InChIKey of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid?
The InChIKey is VKPPSSIHVYPVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-9-7-18-13(14-9)15-10-4-5-11(12(16)17)8(2)6-10/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid?
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid has a molecular weight of 262.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62963351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).