4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine

C12H22N2S — CID 135439906

IUPAC4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCC1CCCCC1/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H22N2S/c1-9-6-4-5-7-10(9)13-11-14-12(2,3)8-15-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyMTTASESOWMUBMJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds1

About 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine (PubChem CID 135439906) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine
PubChem CID135439906
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCC1CCCCC1/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H22N2S/c1-9-6-4-5-7-10(9)13-11-14-12(2,3)8-15-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyMTTASESOWMUBMJ-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine (CID 135439906) is 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine is CC1CCCCC1/N=C1/NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine?
The InChIKey is MTTASESOWMUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-6-4-5-7-10(9)13-11-14-12(2,3)8-15-11/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135439906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).