3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine

C19H24N2S — CID 23908683

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(C)n1CCC1=CCCCC1
InChIInChI=1S/C19H24N2S/c1-15-8-6-7-11-18(15)20-19-21(16(2)14-22-19)13-12-17-9-4-3-5-10-17/h6-9,11,14H,3-5,10,12-13H2,1-2H3/b20-19-
InChIKeyAHRBXGHHEBSCSJ-VXPUYCOJSA-N
MW312.48 g/mol
LogP5.29
Rot. Bonds4

About 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine

3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23908683) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23908683
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(C)n1CCC1=CCCCC1
InChIInChI=1S/C19H24N2S/c1-15-8-6-7-11-18(15)20-19-21(16(2)14-22-19)13-12-17-9-4-3-5-10-17/h6-9,11,14H,3-5,10,12-13H2,1-2H3/b20-19-
InChIKeyAHRBXGHHEBSCSJ-VXPUYCOJSA-N
XLogP5.29
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine (CID 23908683) is 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine is Cc1ccccc1/N=c1\scc(C)n1CCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is AHRBXGHHEBSCSJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H24N2S/c1-15-8-6-7-11-18(15)20-19-21(16(2)14-22-19)13-12-17-9-4-3-5-10-17/h6-9,11,14H,3-5,10,12-13H2,1-2H3/b20-19-.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine?
3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 312.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23908683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).