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

C12H16N2S2 — CID 43293181

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CC(C)CCC2C#N)n1
InChIInChI=1S/C12H16N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-5H2,1-2H3
InChIKeyPSHXKLXIEDDMSO-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.87
Rot. Bonds2

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

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (PubChem CID 43293181) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
PubChem CID43293181
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CC(C)CCC2C#N)n1
InChIInChI=1S/C12H16N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-5H2,1-2H3
InChIKeyPSHXKLXIEDDMSO-UHFFFAOYSA-N
XLogP3.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (CID 43293181) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is Cc1csc(SC2CC(C)CCC2C#N)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The InChIKey is PSHXKLXIEDDMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile has a molecular weight of 252.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43293181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).