(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine

C6H12N2S — CID 2303496

IUPAC(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\S[C@@H](C)CN1CC
InChIInChI=1S/C6H12N2S/c1-3-8-4-5(2)9-6(8)7/h5,7H,3-4H2,1-2H3/b7-6-/t5-/m0/s1
InChIKeyIZVPYFQZHIDSTH-KIYVOPAJSA-N
MW144.24 g/mol
LogP1.38
Rot. Bonds1

About (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine

(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine (PubChem CID 2303496) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine
PubChem CID2303496
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\S[C@@H](C)CN1CC
InChIInChI=1S/C6H12N2S/c1-3-8-4-5(2)9-6(8)7/h5,7H,3-4H2,1-2H3/b7-6-/t5-/m0/s1
InChIKeyIZVPYFQZHIDSTH-KIYVOPAJSA-N
XLogP1.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-3-ethyl-5-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

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine (CID 2303496) is (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine is [H]/N=C1\S[C@@H](C)CN1CC.
What is the InChIKey of (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The InChIKey is IZVPYFQZHIDSTH-KIYVOPAJSA-N. The full InChI is InChI=1S/C6H12N2S/c1-3-8-4-5(2)9-6(8)7/h5,7H,3-4H2,1-2H3/b7-6-/t5-/m0/s1.
What are the key properties of (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
(5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine has a molecular weight of 144.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 2303496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).