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

C20H20N2O2S — CID 46236811

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-7-5-4-6-8-16)19(23)18(25-20)13-15-9-11-17(24-3)12-10-15/h4-14H,1-3H3/b18-13-,21-20-
InChIKeyBDMGORJBAHSXMM-PQDITWEDSA-N
MW352.46 g/mol
LogP4.58
Rot. Bonds4

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236811) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46236811
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-7-5-4-6-8-16)19(23)18(25-20)13-15-9-11-17(24-3)12-10-15/h4-14H,1-3H3/b18-13-,21-20-
InChIKeyBDMGORJBAHSXMM-PQDITWEDSA-N
XLogP4.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
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-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236811) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is BDMGORJBAHSXMM-PQDITWEDSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-7-5-4-6-8-16)19(23)18(25-20)13-15-9-11-17(24-3)12-10-15/h4-14H,1-3H3/b18-13-,21-20-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).