4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide

C17H14N2O3S — CID 91001525

IUPAC4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cn2c(O)csc2=O)cc1
InChIInChI=1S/C17H14N2O3S/c20-15-11-23-17(22)19(15)10-12-6-8-13(9-7-12)16(21)18-14-4-2-1-3-5-14/h1-9,11,20H,10H2,(H,18,21)
InChIKeyOCDVJLRVESLSLG-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.92
Rot. Bonds4

About 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide

4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide (PubChem CID 91001525) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide
PubChem CID91001525
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cn2c(O)csc2=O)cc1
InChIInChI=1S/C17H14N2O3S/c20-15-11-23-17(22)19(15)10-12-6-8-13(9-7-12)16(21)18-14-4-2-1-3-5-14/h1-9,11,20H,10H2,(H,18,21)
InChIKeyOCDVJLRVESLSLG-UHFFFAOYSA-N
XLogP2.92
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314
4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 55622382
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide (CID 91001525) is 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Cn2c(O)csc2=O)cc1.
What is the InChIKey of 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide?
The InChIKey is OCDVJLRVESLSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-15-11-23-17(22)19(15)10-12-6-8-13(9-7-12)16(21)18-14-4-2-1-3-5-14/h1-9,11,20H,10H2,(H,18,21).
What are the key properties of 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide?
4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide has a molecular weight of 326.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 91001525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).