4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile

C13H18N2S2 — CID 43293180

IUPAC4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C13H18N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-6H2,1-2H3
InChIKeyUINXMPSZIOTWPJ-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.26
Rot. Bonds3

About 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile

4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (PubChem CID 43293180) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
PubChem CID43293180
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C13H18N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-6H2,1-2H3
InChIKeyUINXMPSZIOTWPJ-UHFFFAOYSA-N
XLogP4.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Ethylhexylsulfanyl)-4-methyl-1,3-thiazole
CID 141400937
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293177
4-Tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293178
4-(2-Methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293179
4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293181
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 43293183
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 43293184
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
CID 43293185
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 43530675
[4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530676
[4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530677
2-(Cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 52890666

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (CID 43293180) is 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Sc2nc(C)cs2)C1.
What is the InChIKey of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The InChIKey is UINXMPSZIOTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile has a molecular weight of 266.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43293180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).