2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid

C11H6F2N2O3S — CID 28858327

IUPAC2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N2O3S/c12-6-2-1-5(3-7(6)13)9(16)15-11-14-8(4-19-11)10(17)18/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyCISMECHJHMURHJ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.37
Rot. Bonds3

About 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 28858327) has the molecular formula C11H6F2N2O3S and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID28858327
Molecular FormulaC11H6F2N2O3S
Molecular Weight284.24 g/mol
Exact Mass284.01
IUPAC Name2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N2O3S/c12-6-2-1-5(3-7(6)13)9(16)15-11-14-8(4-19-11)10(17)18/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyCISMECHJHMURHJ-UHFFFAOYSA-N
XLogP2.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 43140302
2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330
2-[(3,4-difluorobenzoyl)amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 46113964
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46113945
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-(3-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 104781916
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid (CID 28858327) is 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid is O=C(Nc1nc(C(=O)O)cs1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CISMECHJHMURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O3S/c12-6-2-1-5(3-7(6)13)9(16)15-11-14-8(4-19-11)10(17)18/h1-4H,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 28858327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).