2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

C19H15N3OS — CID 123468319

IUPAC2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3OS/c20-12-15-8-4-5-9-17(15)18(23)21-11-10-16-13-24-19(22-16)14-6-2-1-3-7-14/h1-9,13H,10-11H2,(H,21,23)
InChIKeyZUKPWKZZVISFQN-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.65
Rot. Bonds5

About 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 123468319) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID123468319
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3OS/c20-12-15-8-4-5-9-17(15)18(23)21-11-10-16-13-24-19(22-16)14-6-2-1-3-7-14/h1-9,13H,10-11H2,(H,21,23)
InChIKeyZUKPWKZZVISFQN-UHFFFAOYSA-N
XLogP3.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 123468319) is 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is N#Cc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ZUKPWKZZVISFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-12-15-8-4-5-9-17(15)18(23)21-11-10-16-13-24-19(22-16)14-6-2-1-3-7-14/h1-9,13H,10-11H2,(H,21,23).
What are the key properties of 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 333.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 123468319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).