2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C12H14N2O2S — CID 1285995

IUPAC2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCC/N=C1\SCC(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-13-12-14(11(15)8-17-12)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyKQUWYMVYWMZZDY-SEYXRHQNSA-N
MW250.32 g/mol
LogP2.15
Rot. Bonds3

About 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1285995) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1285995
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCC/N=C1\SCC(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-13-12-14(11(15)8-17-12)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyKQUWYMVYWMZZDY-SEYXRHQNSA-N
XLogP2.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 1285995) is 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is CC/N=C1\SCC(=O)N1c1ccc(OC)cc1.
What is the InChIKey of 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KQUWYMVYWMZZDY-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-13-12-14(11(15)8-17-12)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12-.
What are the key properties of 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1285995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).