2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C11H6ClFN2O3S — CID 107370113

IUPAC2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C11H6ClFN2O3S/c12-5-1-6(13)3-7(2-5)14-9(16)10-15-8(4-19-10)11(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyNHWGZDBOPVIBGL-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107370113) has the molecular formula C11H6ClFN2O3S and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107370113
Molecular FormulaC11H6ClFN2O3S
Molecular Weight300.70 g/mol
Exact Mass299.98
IUPAC Name2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C11H6ClFN2O3S/c12-5-1-6(13)3-7(2-5)14-9(16)10-15-8(4-19-10)11(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyNHWGZDBOPVIBGL-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697378
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
ethyl 4-[(3,5-difluorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697662
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
2-[(3-fluoro-4-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697344
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697062
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 107370113) is 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NHWGZDBOPVIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3S/c12-5-1-6(13)3-7(2-5)14-9(16)10-15-8(4-19-10)11(17)18/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 300.70 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-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107370113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).