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

C14H20N2S2 — CID 43293185

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C14H20N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-7H2,1-2H3
InChIKeyZURRWDYHLKRELC-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.65
Rot. Bonds4

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 43293185) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
PubChem CID43293185
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C14H20N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-7H2,1-2H3
InChIKeyZURRWDYHLKRELC-UHFFFAOYSA-N
XLogP4.65
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.65
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-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293180
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-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 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile (CID 43293185) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(Sc2nc(C)cs2)C1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is ZURRWDYHLKRELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-7H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 280.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43293185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).