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

C19H15N3OS — CID 84507992

IUPAC3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)18(23)21-10-9-17-13-24-19(22-17)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyYYDVPSZJVKQPNH-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.65
Rot. Bonds5

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

3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 84507992) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID84507992
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)18(23)21-10-9-17-13-24-19(22-17)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyYYDVPSZJVKQPNH-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 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 84507992) is 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is YYDVPSZJVKQPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)18(23)21-10-9-17-13-24-19(22-17)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23).
What are the key properties of 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-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 3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 84507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).