N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide

C18H13N3OS — CID 90070616

IUPACN-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-20-18(22)17-10-16(21-23-17)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,22)
InChIKeyXXJYWFJDFPXZTG-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide

N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 90070616) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
PubChem CID90070616
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-20-18(22)17-10-16(21-23-17)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,22)
InChIKeyXXJYWFJDFPXZTG-UHFFFAOYSA-N
XLogP3.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
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CID 60737768
2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
CID 86974990
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
CID 123481458
N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
CID 144564242
6-N-benzyl-4-N-[(4-cyanophenyl)-dideuteriomethyl]pyrimidine-4,6-dicarboxamide
CID 118410976
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide
CID 166188116
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide (CID 90070616) is N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide is N#Cc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is XXJYWFJDFPXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-20-18(22)17-10-16(21-23-17)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,22).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide?
N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 90070616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).