2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one

C11H12N2O2S — CID 135429736

IUPAC2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C11H12N2O2S/c1-2-15-9-5-3-8(4-6-9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyXOAGWHBBYSSMOR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.94
Rot. Bonds3

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

2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135429736) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135429736
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C11H12N2O2S/c1-2-15-9-5-3-8(4-6-9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyXOAGWHBBYSSMOR-UHFFFAOYSA-N
XLogP1.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
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
methyl {(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl}acetate
CID 135511624
4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
3-Ethyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1209200
2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one
CID 3148581
5,5-bis(hydroxymethyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135412577
5-[1-Furan-2-yl-meth-(Z)-ylidene]-2-(4-methoxy-phenylamino)-thiazol-4-one
CID 135418649
N-(4-ethoxyphenyl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135511550
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135429736) is 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XOAGWHBBYSSMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-15-9-5-3-8(4-6-9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135429736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).