2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C11H5ClF2N2O3S — CID 116697378

IUPAC2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H5ClF2N2O3S/c12-5-1-4(13)2-6(14)8(5)16-9(17)10-15-7(3-20-10)11(18)19/h1-3H,(H,16,17)(H,18,19)
InChIKeyYWQCBADMSGKRMN-UHFFFAOYSA-N
MW318.69 g/mol
LogP3.03
Rot. Bonds3

About 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697378) has the molecular formula C11H5ClF2N2O3S and a molecular weight of 318.69 g/mol. Its IUPAC name is 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697378
Molecular FormulaC11H5ClF2N2O3S
Molecular Weight318.69 g/mol
Exact Mass317.97
IUPAC Name2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H5ClF2N2O3S/c12-5-1-4(13)2-6(14)8(5)16-9(17)10-15-7(3-20-10)11(18)19/h1-3H,(H,16,17)(H,18,19)
InChIKeyYWQCBADMSGKRMN-UHFFFAOYSA-N
XLogP3.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107370113
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
2-[(3-fluoro-4-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697344
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696706
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696610
5-chloro-N-(2-chloro-4,6-difluorophenyl)furan-2-carboxamide
CID 113343811
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
4-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83079445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697378) is 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YWQCBADMSGKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N2O3S/c12-5-1-4(13)2-6(14)8(5)16-9(17)10-15-7(3-20-10)11(18)19/h1-3H,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 318.69 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).