2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one

C13H16N2O2S — CID 3148581

IUPAC2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=NC2=CC=C(C=C2)OCC
InChIInChI=1S/C13H16N2O2S/c1-3-15-12(16)9-18-13(15)14-10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyXLVRVQDDVARTKF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.80
Rot. Bonds4

About 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one

2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one (PubChem CID 3148581) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one
PubChem CID3148581
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=NC2=CC=C(C=C2)OCC
InChIInChI=1S/C13H16N2O2S/c1-3-15-12(16)9-18-13(15)14-10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyXLVRVQDDVARTKF-UHFFFAOYSA-N
XLogP2.80
TPSA67.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity325

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.80
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
3-Ethyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1209200
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxamide
CID 3154428
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
3-(4-ethoxyphenyl)-2-(isopropylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756751
3-Isobutyl-2-[(4-methoxyphenyl)imino]-5-[(5-methyl-2-furyl)methylene]-1,3-thiazolidin-4-one
CID 1233227
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
2-[(4-Methoxyphenyl)imino]-5-[(5-methyl-2-furyl)methylene]-3-propyl-1,3-thiazolidin-4-one
CID 1813019
5-(2-Furylmethylene)-2-[(4-methoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one
CID 1813290

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one?
The IUPAC name of 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one (CID 3148581) is 2-(4-ethoxyphenyl)imino-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one?
The canonical SMILES for 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one is CCN1C(=O)CSC1=NC2=CC=C(C=C2)OCC.
What is the InChIKey of 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one?
The InChIKey is XLVRVQDDVARTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-15-12(16)9-18-13(15)14-10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one?
2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one is sourced from PubChem (CID 3148581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).