2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid

C11H10N2O2S — CID 63654743

IUPAC2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
SMILESCc1ccc(Nc2nccs2)cc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-7-2-3-8(6-9(7)10(14)15)13-11-12-4-5-16-11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyJKQCUAHXYQBQRG-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid

2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid (PubChem CID 63654743) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
PubChem CID63654743
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
SMILESCc1ccc(Nc2nccs2)cc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-7-2-3-8(6-9(7)10(14)15)13-11-12-4-5-16-11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyJKQCUAHXYQBQRG-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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Related Compounds

2-ethyl-4-(1,3-thiazol-2-ylamino)benzoic acid
CID 87550849
2-methyl-5-(1,3-thiazol-2-ylamino)phenol
CID 86645029
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
2-methyl-5-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 55244261
5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid?
The IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid (CID 63654743) is 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid?
The canonical SMILES for 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid is Cc1ccc(Nc2nccs2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid?
The InChIKey is JKQCUAHXYQBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-2-3-8(6-9(7)10(14)15)13-11-12-4-5-16-11/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid?
2-methyl-5-(1,3-thiazol-2-ylamino)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 2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid is sourced from PubChem (CID 63654743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).