1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile

C14H18N2S — CID 116865599

IUPAC1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESCc1sc(C2(C#N)CCC2)nc1C1CCCC1
InChIInChI=1S/C14H18N2S/c1-10-12(11-5-2-3-6-11)16-13(17-10)14(9-15)7-4-8-14/h11H,2-8H2,1H3
InChIKeyUXNLBKDEEFYXQK-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile

1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (PubChem CID 116865599) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
PubChem CID116865599
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESCc1sc(C2(C#N)CCC2)nc1C1CCCC1
InChIInChI=1S/C14H18N2S/c1-10-12(11-5-2-3-6-11)16-13(17-10)14(9-15)7-4-8-14/h11H,2-8H2,1H3
InChIKeyUXNLBKDEEFYXQK-UHFFFAOYSA-N
XLogP4.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (CID 116865599) is 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is Cc1sc(C2(C#N)CCC2)nc1C1CCCC1.
What is the InChIKey of 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is UXNLBKDEEFYXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-12(11-5-2-3-6-11)16-13(17-10)14(9-15)7-4-8-14/h11H,2-8H2,1H3.
What are the key properties of 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 246.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116865599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).