4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine

C7H13NS — CID 86018238

IUPAC4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(CC)N1C
InChIInChI=1S/C7H13NS/c1-4-7-5-9-6(2)8(7)3/h7H,2,4-5H2,1,3H3
InChIKeyLQVURDXKCFDAHH-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.91
Rot. Bonds1

About 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine

4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine (PubChem CID 86018238) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine
PubChem CID86018238
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(CC)N1C
InChIInChI=1S/C7H13NS/c1-4-7-5-9-6(2)8(7)3/h7H,2,4-5H2,1,3H3
InChIKeyLQVURDXKCFDAHH-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine?
The IUPAC name of 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine (CID 86018238) is 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine is C=C1SCC(CC)N1C.
What is the InChIKey of 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine?
The InChIKey is LQVURDXKCFDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-7-5-9-6(2)8(7)3/h7H,2,4-5H2,1,3H3.
What are the key properties of 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine?
4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine has a molecular weight of 143.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2-methylidene-1,3-thiazolidine is sourced from PubChem (CID 86018238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).