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

C13H12N2O3S — CID 645848

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(12(17)18)10(5-7)11(16)15-13-14-8(2)6-19-13/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQTUAKCYQADXTAB-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.71
Rot. Bonds3

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

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (PubChem CID 645848) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
PubChem CID645848
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(12(17)18)10(5-7)11(16)15-13-14-8(2)6-19-13/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQTUAKCYQADXTAB-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (CID 645848) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is Cc1ccc(C(=O)O)c(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The InChIKey is QTUAKCYQADXTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-3-4-9(12(17)18)10(5-7)11(16)15-13-14-8(2)6-19-13/h3-6H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid has a molecular weight of 276.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).