4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine

C17H22N2O2S — CID 135810119

IUPAC4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N/C1CCCCC1C
InChIInChI=1S/C17H22N2O2S/c1-12-8-6-7-11-15(12)18-17-13(2)16(22(20,21)19-17)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,18,19)
InChIKeyVCETYMQASKJCQO-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine

4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine (PubChem CID 135810119) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine.

Molecular Properties

Compound Name4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
PubChem CID135810119
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N/C1CCCCC1C
InChIInChI=1S/C17H22N2O2S/c1-12-8-6-7-11-15(12)18-17-13(2)16(22(20,21)19-17)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,18,19)
InChIKeyVCETYMQASKJCQO-UHFFFAOYSA-N
XLogP3.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The IUPAC name of 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine (CID 135810119) is 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine.
What is the SMILES notation for 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The canonical SMILES for 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine is CC1=C(c2ccccc2)S(=O)(=O)N/C1=N/C1CCCCC1C.
What is the InChIKey of 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The InChIKey is VCETYMQASKJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-8-6-7-11-15(12)18-17-13(2)16(22(20,21)19-17)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine has a molecular weight of 318.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylcyclohexyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine is sourced from PubChem (CID 135810119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).