3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one

C17H15N3O3S — CID 17118331

IUPAC3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N2C(=O)CS/C2=N\c2ccccc2)cc1O
InChIInChI=1S/C17H15N3O3S/c1-23-15-8-7-12(9-14(15)21)10-18-20-16(22)11-24-17(20)19-13-5-3-2-4-6-13/h2-10,21H,11H2,1H3/b18-10+,19-17-
InChIKeyKTNTULUIHKWSGT-MNVAPZAZSA-N
MW341.39 g/mol
LogP3.00
Rot. Bonds4

About 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one

3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 17118331) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID17118331
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N2C(=O)CS/C2=N\c2ccccc2)cc1O
InChIInChI=1S/C17H15N3O3S/c1-23-15-8-7-12(9-14(15)21)10-18-20-16(22)11-24-17(20)19-13-5-3-2-4-6-13/h2-10,21H,11H2,1H3/b18-10+,19-17-
InChIKeyKTNTULUIHKWSGT-MNVAPZAZSA-N
XLogP3.00
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23883962
3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 5498782
(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate
CID 6978844
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4757749
(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136887294
[2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenyl] furan-2-carboxylate
CID 23934391
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
3-[(E)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17026288
4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295245

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one (CID 17118331) is 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=N/N2C(=O)CS/C2=N\c2ccccc2)cc1O.
What is the InChIKey of 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is KTNTULUIHKWSGT-MNVAPZAZSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-15-8-7-12(9-14(15)21)10-18-20-16(22)11-24-17(20)19-13-5-3-2-4-6-13/h2-10,21H,11H2,1H3/b18-10+,19-17-.
What are the key properties of 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one?
3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 17118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).