3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine

C9H15NS — CID 144519487

IUPAC3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine
SMILESC=C(C)C1CSC(=C)N1CC
InChIInChI=1S/C9H15NS/c1-5-10-8(4)11-6-9(10)7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyMYAKAKZJRPTKEG-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.47
Rot. Bonds2

About 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine

3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine (PubChem CID 144519487) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine
PubChem CID144519487
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine
SMILESC=C(C)C1CSC(=C)N1CC
InChIInChI=1S/C9H15NS/c1-5-10-8(4)11-6-9(10)7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyMYAKAKZJRPTKEG-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948591
3-Methyl-4-prop-1-en-2-yl-1,3-thiazolidine-2-thione
CID 88737729
2,5-Dimethylidene-1-(2-methylidene-4-prop-1-en-2-ylsulfanylbutyl)pyrrolidine
CID 89223896
2,5-Dimethylidene-1-(2-methylidene-4-methylsulfanylbutyl)pyrrolidine
CID 167299742
3-(3-Methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574323

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine?
The IUPAC name of 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine (CID 144519487) is 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine is C=C(C)C1CSC(=C)N1CC.
What is the InChIKey of 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine?
The InChIKey is MYAKAKZJRPTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-10-8(4)11-6-9(10)7(2)3/h9H,2,4-6H2,1,3H3.
What are the key properties of 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine?
3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine is sourced from PubChem (CID 144519487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).