N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

C16H15N3OS — CID 87301470

IUPACN-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESN#Cc1sc(NC(=O)C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-10-13-14(11-6-2-1-3-7-11)18-16(21-13)19-15(20)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H,18,19,20)
InChIKeyUGKVPUVYROTJKU-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.81
Rot. Bonds3

About N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (PubChem CID 87301470) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
PubChem CID87301470
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESN#Cc1sc(NC(=O)C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-10-13-14(11-6-2-1-3-7-11)18-16(21-13)19-15(20)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H,18,19,20)
InChIKeyUGKVPUVYROTJKU-UHFFFAOYSA-N
XLogP3.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (CID 87301470) is N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is N#Cc1sc(NC(=O)C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is UGKVPUVYROTJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-10-13-14(11-6-2-1-3-7-11)18-16(21-13)19-15(20)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H,18,19,20).
What are the key properties of N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 87301470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).