3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

C12H14N2O2S — CID 1209200

IUPAC3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-14-11(15)8-17-12(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12+
InChIKeyLNAZSZSNAWPFBB-OUKQBFOZSA-N
MW250.32 g/mol
LogP2.28
Rot. Bonds3

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

3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1209200) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1209200
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-14-11(15)8-17-12(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12+
InChIKeyLNAZSZSNAWPFBB-OUKQBFOZSA-N
XLogP2.28
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 ≤ 52.28
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 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 1209200) is 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N/c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LNAZSZSNAWPFBB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-14-11(15)8-17-12(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3/b13-12+.
What are the key properties of 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).