3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C18H16N2OS — CID 840341

IUPAC3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)
InChIKeyUSOKHTPKNMBBRG-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.38
Rot. Bonds5

About 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 840341) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID840341
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)
InChIKeyUSOKHTPKNMBBRG-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 840341) is 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is USOKHTPKNMBBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21).
What are the key properties of 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 308.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 840341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).