4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide

C13H12FN3O2S — CID 46388447

IUPAC4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeyWVAQWIRNGXVKKC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds5

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

4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (PubChem CID 46388447) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
PubChem CID46388447
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeyWVAQWIRNGXVKKC-UHFFFAOYSA-N
XLogP1.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 162634998
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 126829428
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (CID 46388447) is 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCc1cscn1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The InChIKey is WVAQWIRNGXVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19).
What are the key properties of 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 46388447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).