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

C10H20N2OS — CID 136817006

IUPAC4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(C)(C)OC)N1
InChIInChI=1S/C10H20N2OS/c1-5-8-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyMBDMLWNLCUOWDK-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.88
Rot. Bonds4

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

4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 136817006) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID136817006
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(C)(C)OC)N1
InChIInChI=1S/C10H20N2OS/c1-5-8-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyMBDMLWNLCUOWDK-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.88
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-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
CID 136817004
4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
CID 136762638
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
CID 137004296
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
CID 136948922
N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
CID 135938395
N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
CID 135934622
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine (CID 136817006) is 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CC(C)(C)OC)N1.
What is the InChIKey of 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is MBDMLWNLCUOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-5-8-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 216.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136817006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).