(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C23H18N2O3S — CID 1377803

IUPAC(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15+,24-23-
InChIKeyGIHVLLGPBSDCRL-NVZLDUMVSA-N
MW402.48 g/mol
LogP5.21
Rot. Bonds4

About (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 1377803) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID1377803
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15+,24-23-
InChIKeyGIHVLLGPBSDCRL-NVZLDUMVSA-N
XLogP5.21
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 1377803) is (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GIHVLLGPBSDCRL-NVZLDUMVSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15+,24-23-.
What are the key properties of (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 402.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1377803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).