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

C11H10N2O2S — CID 2337233

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N2O2S/c1-7-6-16-11(12-7)13-9-4-2-8(3-5-9)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyVWQMNWDBMGYALO-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.89
Rot. Bonds3

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

4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 2337233) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID2337233
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1csc(Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N2O2S/c1-7-6-16-11(12-7)13-9-4-2-8(3-5-9)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyVWQMNWDBMGYALO-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid (CID 2337233) is 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid is Cc1csc(Nc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is VWQMNWDBMGYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-6-16-11(12-7)13-9-4-2-8(3-5-9)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid?
4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 234.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 2337233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).