4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C16H10N4OS — CID 2463817

IUPAC4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H10N4OS/c17-9-11-4-6-12(7-5-11)15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,(H,19,20,21)
InChIKeyAAHYIZAYSSTERZ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.33
Rot. Bonds3

About 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2463817) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2463817
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H10N4OS/c17-9-11-4-6-12(7-5-11)15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,(H,19,20,21)
InChIKeyAAHYIZAYSSTERZ-UHFFFAOYSA-N
XLogP3.33
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2463817) is 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is N#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AAHYIZAYSSTERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c17-9-11-4-6-12(7-5-11)15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,(H,19,20,21).
What are the key properties of 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 306.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2463817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).