3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one

C13H15NOS — CID 163661343

IUPAC3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1c1cc(C)ccc1CC
InChIInChI=1S/C13H15NOS/c1-4-11-6-5-9(2)7-12(11)14-10(3)16-8-13(14)15/h5-7H,3-4,8H2,1-2H3
InChIKeyIUQMXLJGKWGVRZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.11
Rot. Bonds2

About 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one

3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 163661343) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one
PubChem CID163661343
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1c1cc(C)ccc1CC
InChIInChI=1S/C13H15NOS/c1-4-11-6-5-9(2)7-12(11)14-10(3)16-8-13(14)15/h5-7H,3-4,8H2,1-2H3
InChIKeyIUQMXLJGKWGVRZ-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one (CID 163661343) is 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one is C=C1SCC(=O)N1c1cc(C)ccc1CC.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is IUQMXLJGKWGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-4-11-6-5-9(2)7-12(11)14-10(3)16-8-13(14)15/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one?
3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 233.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 163661343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).