2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide

C24H17N3OS — CID 168523125

IUPAC2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1
InChIInChI=1S/C24H17N3OS/c25-15-14-21(28)26-20-13-7-12-19(16-20)24-27-22(17-8-3-1-4-9-17)23(29-24)18-10-5-2-6-11-18/h1-13,16H,14H2,(H,26,28)
InChIKeyWTAWFNKWUNMLAN-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.00
Rot. Bonds5

About 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide

2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 168523125) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
PubChem CID168523125
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1
InChIInChI=1S/C24H17N3OS/c25-15-14-21(28)26-20-13-7-12-19(16-20)24-27-22(17-8-3-1-4-9-17)23(29-24)18-10-5-2-6-11-18/h1-13,16H,14H2,(H,26,28)
InChIKeyWTAWFNKWUNMLAN-UHFFFAOYSA-N
XLogP6.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168522916
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
2-[5-[3-[(2-cyanoacetyl)amino]phenyl]tetrazol-2-yl]acetic acid
CID 168524333
2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108759716
2-[3-[(2-cyanoacetyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168522691

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide (CID 168523125) is 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide is N#CCC(=O)Nc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1.
What is the InChIKey of 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide?
The InChIKey is WTAWFNKWUNMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c25-15-14-21(28)26-20-13-7-12-19(16-20)24-27-22(17-8-3-1-4-9-17)23(29-24)18-10-5-2-6-11-18/h1-13,16H,14H2,(H,26,28).
What are the key properties of 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide?
2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 168523125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).