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

C12H10N2O3S — CID 653107

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCc1csc(NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H10N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyDNTCZUHQOQFZCB-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (PubChem CID 653107) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
PubChem CID653107
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCc1csc(NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H10N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyDNTCZUHQOQFZCB-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (CID 653107) is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is Cc1csc(NC(=O)c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The InChIKey is DNTCZUHQOQFZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 653107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).