3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C12H9F2N3O2S — CID 47334895

IUPAC3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1nccs1
InChIInChI=1S/C12H9F2N3O2S/c13-8-2-1-7(5-9(8)14)11(19)16-6-10(18)17-12-15-3-4-20-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyUCYGJYJSNVTFNW-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.79
Rot. Bonds4

About 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 47334895) has the molecular formula C12H9F2N3O2S and a molecular weight of 297.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID47334895
Molecular FormulaC12H9F2N3O2S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1nccs1
InChIInChI=1S/C12H9F2N3O2S/c13-8-2-1-7(5-9(8)14)11(19)16-6-10(18)17-12-15-3-4-20-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyUCYGJYJSNVTFNW-UHFFFAOYSA-N
XLogP1.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-3-carboxamide
CID 47377756
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47776072
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 110445702
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 11314022
N-(1,3-thiazol-2-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487515
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 47334895) is 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1nccs1.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is UCYGJYJSNVTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S/c13-8-2-1-7(5-9(8)14)11(19)16-6-10(18)17-12-15-3-4-20-12/h1-5H,6H2,(H,16,19)(H,15,17,18).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 297.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 47334895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).