4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine

C12H22N2S2 — CID 136778358

IUPAC4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\C2CCCCC2SC)N1
InChIInChI=1S/C12H22N2S2/c1-3-9-8-16-12(13-9)14-10-6-4-5-7-11(10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyLDACRTXEIDSUNI-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.13
Rot. Bonds3

About 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine (PubChem CID 136778358) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine
PubChem CID136778358
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\C2CCCCC2SC)N1
InChIInChI=1S/C12H22N2S2/c1-3-9-8-16-12(13-9)14-10-6-4-5-7-11(10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyLDACRTXEIDSUNI-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 568661
N-Cyclohexyl-4,5-dihydro-5-methyl-2-thiazolamine
CID 2802274
N-cyclohexyl-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 768206
N-cyclohexyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135418933
Cyclohexyl-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine
CID 2363379
ethyl N,N'-dicyclohexylcarbamimidothioate
CID 203321
N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine
CID 135021332
3-[(4,6-difluoro-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 140917731
N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 6493401
N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 6493402
2-propylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 53721260
3a,4,5,6,7,7a-Hexahydro 2-(Propylthio) 1H-Benzimidazole Monohydrobromide
CID 70149959

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine (CID 136778358) is 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\C2CCCCC2SC)N1.
What is the InChIKey of 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine?
The InChIKey is LDACRTXEIDSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-3-9-8-16-12(13-9)14-10-6-4-5-7-11(10)15-2/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine has a molecular weight of 258.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylsulfanylcyclohexyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136778358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).