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

C15H22N2S2 — CID 43293178

IUPAC4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CC(C(C)(C)C)CCC2C#N)n1
InChIInChI=1S/C15H22N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-7H2,1-4H3
InChIKeyODJPFLNRTIOKAD-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.90
Rot. Bonds2

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

4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (PubChem CID 43293178) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
PubChem CID43293178
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC Name4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
SMILESCc1csc(SC2CC(C(C)(C)C)CCC2C#N)n1
InChIInChI=1S/C15H22N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-7H2,1-4H3
InChIKeyODJPFLNRTIOKAD-UHFFFAOYSA-N
XLogP4.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile (CID 43293178) is 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is Cc1csc(SC2CC(C(C)(C)C)CCC2C#N)n1.
What is the InChIKey of 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
The InChIKey is ODJPFLNRTIOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile?
4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile has a molecular weight of 294.49 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43293178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).