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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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
(2Z)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135429736
2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one
CID 3148581
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930
2-(Ethylimino)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1285995
3-(4-Methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
CID 1389352
3-Ethyl-2-[(4-methoxyphenyl)imino]-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1812955
1-[3-[2-(4-Methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 2338875
N-heptyl-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4235730
N-(4-Methoxyphenyl)-2-[({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961915
6-hydroxy-3-(4-methoxyphenyl)-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-4(3H)-pyrimidinone
CID 135449204

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).