3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine

C17H22N2S — CID 23937531

IUPAC3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(C)n2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-13-8-10-15(11-9-13)18-17-19(14(2)12-20-17)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3/b18-17-
InChIKeyONPAXMLWALQSPC-ZCXUNETKSA-N
MW286.44 g/mol
LogP4.90
Rot. Bonds2

About 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine

3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23937531) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23937531
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(C)n2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-13-8-10-15(11-9-13)18-17-19(14(2)12-20-17)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3/b18-17-
InChIKeyONPAXMLWALQSPC-ZCXUNETKSA-N
XLogP4.90
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine (CID 23937531) is 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(C)n2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is ONPAXMLWALQSPC-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-8-10-15(11-9-13)18-17-19(14(2)12-20-17)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3/b18-17-.
What are the key properties of 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 286.44 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23937531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).