4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine

C15H28N2S2 — CID 136762681

IUPAC4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(SC)CCCCC2)N1
InChIInChI=1S/C15H28N2S2/c1-4-14(5-2)12-19-13(17-14)16-11-15(18-3)9-7-6-8-10-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyOFIVMCBKVATJPY-UHFFFAOYSA-N
MW300.54 g/mol
LogP4.30
Rot. Bonds5

About 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine

4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136762681) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136762681
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC Name4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(SC)CCCCC2)N1
InChIInChI=1S/C15H28N2S2/c1-4-14(5-2)12-19-13(17-14)16-11-15(18-3)9-7-6-8-10-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyOFIVMCBKVATJPY-UHFFFAOYSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136870697
N-(2-cyclohexylethyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977294
4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137016836
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
N-[(1-methylsulfanylcyclobutyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993578
N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 137000525
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136964291
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine (CID 136762681) is 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CC2(SC)CCCCC2)N1.
What is the InChIKey of 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is OFIVMCBKVATJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S2/c1-4-14(5-2)12-19-13(17-14)16-11-15(18-3)9-7-6-8-10-15/h4-12H2,1-3H3,(H,16,17).
What are the key properties of 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine?
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 300.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136762681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).