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

C6H12N2S — CID 2303495

IUPAC(5R)-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-/m1/s1
InChIKeyIZVPYFQZHIDSTH-MPLXJBJVSA-N
MW144.24 g/mol
LogP1.38
Rot. Bonds1

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

(5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine (PubChem CID 2303495) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine
PubChem CID2303495
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name(5R)-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-/m1/s1
InChIKeyIZVPYFQZHIDSTH-MPLXJBJVSA-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'}

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Related Compounds

3-methyl-1,3-thiazolidin-2-imine Hydroiodide
CID 2770507
3-Methyl-2-thiazolidinimine
CID 77318
3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
2-Imino-3,5-dimethylthiazolidine
CID 5131681
Thiazolium, 4,5-dihydro-2-amino-3-methyl-, bromide
CID 205098
Thiazolium, 4-5-dihydro-2-amino-3-ethyl-, bromide
CID 216946
3-Prop-2-ynyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654239
3-Ethyl-1,3-thiazolidin-2-imine
CID 216947
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine
CID 57035099
3-(3,3,3-Trifluoropropyl)-1,3-thiazolidin-2-imine
CID 67812852
Methyl 3-fluoropyrrolidine-1-carboximidothioate
CID 123348675
methyl (3R)-3-fluoropyrrolidine-1-carboximidothioate
CID 144377843

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine (CID 2303495) is (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine is [H]/N=C1\S[C@H](C)CN1CC.
What is the InChIKey of (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
The InChIKey is IZVPYFQZHIDSTH-MPLXJBJVSA-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-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine?
(5R)-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 (5R)-3-ethyl-5-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 2303495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).