N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine

C19H26N2O2S — CID 135506191

IUPACN-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\C1CCCC(C)C1C
InChIInChI=1S/C19H26N2O2S/c1-12-8-10-16(11-9-12)18-15(4)19(21-24(18,22)23)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,5-7H2,1-4H3,(H,20,21)
InChIKeyQXBHBSSPTHRSEM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.88
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine

N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135506191) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135506191
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\C1CCCC(C)C1C
InChIInChI=1S/C19H26N2O2S/c1-12-8-10-16(11-9-12)18-15(4)19(21-24(18,22)23)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,5-7H2,1-4H3,(H,20,21)
InChIKeyQXBHBSSPTHRSEM-UHFFFAOYSA-N
XLogP3.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.88
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 N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (CID 135506191) is N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\C1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is QXBHBSSPTHRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-12-8-10-16(11-9-12)18-15(4)19(21-24(18,22)23)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,5-7H2,1-4H3,(H,20,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 346.50 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135506191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).