(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C19H18N2O2S — CID 46236807

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-6-4-3-5-7-15)18(23)17(24-19)12-14-8-10-16(22)11-9-14/h3-13,22H,1-2H3/b17-12-,20-19-
InChIKeyLMSUJOZIAQAIJF-QTBWCZOLSA-N
MW338.43 g/mol
LogP4.28
Rot. Bonds3

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236807) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46236807
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-6-4-3-5-7-15)18(23)17(24-19)12-14-8-10-16(22)11-9-14/h3-13,22H,1-2H3/b17-12-,20-19-
InChIKeyLMSUJOZIAQAIJF-QTBWCZOLSA-N
XLogP4.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236807) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is LMSUJOZIAQAIJF-QTBWCZOLSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-6-4-3-5-7-15)18(23)17(24-19)12-14-8-10-16(22)11-9-14/h3-13,22H,1-2H3/b17-12-,20-19-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).