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

C11H14N2S2 — CID 43293177

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CCCCC2C#N)n1
InChIInChI=1S/C11H14N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-5H2,1H3
InChIKeyDTNQDHGYENKAFY-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.63
Rot. Bonds2

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (PubChem CID 43293177) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
PubChem CID43293177
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CCCCC2C#N)n1
InChIInChI=1S/C11H14N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-5H2,1H3
InChIKeyDTNQDHGYENKAFY-UHFFFAOYSA-N
XLogP3.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (CID 43293177) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is Cc1csc(SC2CCCCC2C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The InChIKey is DTNQDHGYENKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-5H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile has a molecular weight of 238.38 g/mol, XLogP of 3.63, 2 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43293177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).