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

C20H20N2O2S — CID 46236809

IUPAC(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-
InChIKeyROJMABDYGVEYPL-RTPYTOBHSA-N
MW352.46 g/mol
LogP4.59
Rot. Bonds3

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

(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236809) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46236809
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-
InChIKeyROJMABDYGVEYPL-RTPYTOBHSA-N
XLogP4.59
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.59
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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Related Compounds

(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 24956673
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-phenyl-2-propylimino-thiazolidin-4-one
CID 24956674
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-o-tolyl-thiazolidin-4-one
CID 24956675
(Z,Z)-2-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 24956676
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-phenyl)-2-isopropyliminothiazolidin-4-one
CID 24957028
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propylimino-3-o-tolyl-thiazolidin-4-one
CID 24957029
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
(2E,5Z)-5-(4-(dimethylamino)benzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135498601
3-(4-Fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1258959
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 1591626

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236809) is (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is Cc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ROJMABDYGVEYPL-RTPYTOBHSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).