4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile

C17H18N2S — CID 65404104

IUPAC4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCCC1CCC(c2nc(-c3ccc(C#N)cc3)cs2)C1
InChIInChI=1S/C17H18N2S/c1-2-12-3-8-15(9-12)17-19-16(11-20-17)14-6-4-13(10-18)5-7-14/h4-7,11-12,15H,2-3,8-9H2,1H3
InChIKeyUSIALKOBZMXPQZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.98
Rot. Bonds3

About 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 65404104) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID65404104
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCCC1CCC(c2nc(-c3ccc(C#N)cc3)cs2)C1
InChIInChI=1S/C17H18N2S/c1-2-12-3-8-15(9-12)17-19-16(11-20-17)14-6-4-13(10-18)5-7-14/h4-7,11-12,15H,2-3,8-9H2,1H3
InChIKeyUSIALKOBZMXPQZ-UHFFFAOYSA-N
XLogP4.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
CID 61336305
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
2-[2-(4-ethylcyclohexyl)-1,3-thiazol-4-yl]acetonitrile
CID 65390540
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
4-[2-(4-ethylcyclohexyl)phenyl]benzonitrile
CID 57359220
4-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]aniline
CID 115998354
4-(2-bromophenyl)-2-(4-ethylcyclohexyl)-1,3-thiazole
CID 79831597
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile (CID 65404104) is 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile is CCC1CCC(c2nc(-c3ccc(C#N)cc3)cs2)C1.
What is the InChIKey of 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is USIALKOBZMXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-12-3-8-15(9-12)17-19-16(11-20-17)14-6-4-13(10-18)5-7-14/h4-7,11-12,15H,2-3,8-9H2,1H3.
What are the key properties of 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 282.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 65404104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).