2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

C12H9FN2O3S — CID 857478

IUPAC2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccccc2F)sc1C(=O)O
InChIInChI=1S/C12H9FN2O3S/c1-6-9(11(17)18)19-12(14-6)15-10(16)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyHHQRDTFZFVZRAY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 857478) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID857478
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccccc2F)sc1C(=O)O
InChIInChI=1S/C12H9FN2O3S/c1-6-9(11(17)18)19-12(14-6)15-10(16)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyHHQRDTFZFVZRAY-UHFFFAOYSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 857478) is 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)c2ccccc2F)sc1C(=O)O.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HHQRDTFZFVZRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c1-6-9(11(17)18)19-12(14-6)15-10(16)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 857478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).