4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile

C13H18N2S — CID 65395145

IUPAC4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(Cc2cscn2)CC1
InChIInChI=1S/C13H18N2S/c1-2-11-3-5-13(9-14,6-4-11)7-12-8-16-10-15-12/h8,10-11H,2-7H2,1H3
InChIKeyVAKIENSNEVMYRG-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.80
Rot. Bonds3

About 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile

4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile (PubChem CID 65395145) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile
PubChem CID65395145
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(Cc2cscn2)CC1
InChIInChI=1S/C13H18N2S/c1-2-11-3-5-13(9-14,6-4-11)7-12-8-16-10-15-12/h8,10-11H,2-7H2,1H3
InChIKeyVAKIENSNEVMYRG-UHFFFAOYSA-N
XLogP3.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65395763
1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393065
1-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393899
1-[(2,5-difluorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65392862
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
4-methyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 65395115
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425025
4-ethyl-1-heptylcyclohexane-1-carbonitrile
CID 65395560
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413094
1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
CID 130559183

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile (CID 65395145) is 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(Cc2cscn2)CC1.
What is the InChIKey of 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile?
The InChIKey is VAKIENSNEVMYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-11-3-5-13(9-14,6-4-11)7-12-8-16-10-15-12/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile?
4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 65395145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).