4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C11H9N3OS — CID 2423237

IUPAC4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H9N3OS/c12-7-8-1-3-9(4-2-8)10(15)14-11-13-5-6-16-11/h1-4H,5-6H2,(H,13,14,15)
InChIKeyZRZJJFZEJAOJLW-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.39
Rot. Bonds1

About 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2423237) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2423237
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H9N3OS/c12-7-8-1-3-9(4-2-8)10(15)14-11-13-5-6-16-11/h1-4H,5-6H2,(H,13,14,15)
InChIKeyZRZJJFZEJAOJLW-UHFFFAOYSA-N
XLogP1.39
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2423237) is 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is N#Cc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZRZJJFZEJAOJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-7-8-1-3-9(4-2-8)10(15)14-11-13-5-6-16-11/h1-4H,5-6H2,(H,13,14,15).
What are the key properties of 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 231.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2423237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).