2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile

C16H16N2S — CID 116889911

IUPAC2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H16N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2
InChIKeyKYUMDLXPJPLKDS-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.73
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile

2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 116889911) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile
PubChem CID116889911
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H16N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2
InChIKeyKYUMDLXPJPLKDS-UHFFFAOYSA-N
XLogP4.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile (CID 116889911) is 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is KYUMDLXPJPLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2.
What are the key properties of 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile?
2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 268.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 116889911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).