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

C15H15F2N3O2S — CID 86796428

IUPAC3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
SMILESCC(C)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1nccs1
InChIInChI=1S/C15H15F2N3O2S/c1-15(2,14-18-5-6-23-14)20-12(21)8-19-13(22)9-3-4-10(16)11(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUNIKSARIHFIAPU-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.20
Rot. Bonds5

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

3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide (PubChem CID 86796428) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
PubChem CID86796428
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
SMILESCC(C)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1nccs1
InChIInChI=1S/C15H15F2N3O2S/c1-15(2,14-18-5-6-23-14)20-12(21)8-19-13(22)9-3-4-10(16)11(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUNIKSARIHFIAPU-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide
CID 86796421
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 86961916
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 110445702
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide (CID 86796428) is 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide is CC(C)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1nccs1.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide?
The InChIKey is UNIKSARIHFIAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c1-15(2,14-18-5-6-23-14)20-12(21)8-19-13(22)9-3-4-10(16)11(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 2.20, 5 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-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide is sourced from PubChem (CID 86796428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).