2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile

C16H14N2S — CID 713364

IUPAC2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(=C1CCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2S/c17-10-14(12-6-4-5-7-12)16-18-15(11-19-16)13-8-2-1-3-9-13/h1-3,8-9,11H,4-7H2
InChIKeyYFZSYSXOFKILBF-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.66
Rot. Bonds2

About 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile

2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 713364) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID713364
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(=C1CCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2S/c17-10-14(12-6-4-5-7-12)16-18-15(11-19-16)13-8-2-1-3-9-13/h1-3,8-9,11H,4-7H2
InChIKeyYFZSYSXOFKILBF-UHFFFAOYSA-N
XLogP4.66
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile (CID 713364) is 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile is N#CC(=C1CCCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is YFZSYSXOFKILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-10-14(12-6-4-5-7-12)16-18-15(11-19-16)13-8-2-1-3-9-13/h1-3,8-9,11H,4-7H2.
What are the key properties of 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile?
2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 266.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 713364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).