4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine

C13H24N2S — CID 136867395

IUPAC4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\CC2CCC(C)C2)N1
InChIInChI=1S/C13H24N2S/c1-4-13(3)9-16-12(15-13)14-8-11-6-5-10(2)7-11/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyMDZFBDXIAONSOR-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.28
Rot. Bonds3

About 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine

4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136867395) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136867395
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\CC2CCC(C)C2)N1
InChIInChI=1S/C13H24N2S/c1-4-13(3)9-16-12(15-13)14-8-11-6-5-10(2)7-11/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyMDZFBDXIAONSOR-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
N-[1-[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
CID 136666974
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136964291
N-[(3-methylcyclopentyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747385
4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine
CID 137212796
1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136780751
4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine
CID 136883332
4,4-diethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135977043
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136757314
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977171
4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
CID 136757099

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine (CID 136867395) is 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine is CCC1(C)CS/C(=N\CC2CCC(C)C2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is MDZFBDXIAONSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-13(3)9-16-12(15-13)14-8-11-6-5-10(2)7-11/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 240.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).