N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide

C13H10F2N2O2S — CID 17391508

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(F)cc2F)nc1C
InChIInChI=1S/C13H10F2N2O2S/c1-6-11(7(2)18)20-13(16-6)17-12(19)9-4-3-8(14)5-10(9)15/h3-5H,1-2H3,(H,16,17,19)
InChIKeyOAVJKKDXYHPCFI-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.18
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide (PubChem CID 17391508) has the molecular formula C13H10F2N2O2S and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
PubChem CID17391508
Molecular FormulaC13H10F2N2O2S
Molecular Weight296.30 g/mol
Exact Mass296.04
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(F)cc2F)nc1C
InChIInChI=1S/C13H10F2N2O2S/c1-6-11(7(2)18)20-13(16-6)17-12(19)9-4-3-8(14)5-10(9)15/h3-5H,1-2H3,(H,16,17,19)
InChIKeyOAVJKKDXYHPCFI-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23549123
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565329
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-difluorobenzamide
CID 26723073
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 48998312
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484281
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
2,4-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43027585

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide (CID 17391508) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide is CC(=O)c1sc(NC(=O)c2ccc(F)cc2F)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide?
The InChIKey is OAVJKKDXYHPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S/c1-6-11(7(2)18)20-13(16-6)17-12(19)9-4-3-8(14)5-10(9)15/h3-5H,1-2H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide has a molecular weight of 296.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 17391508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).