(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H12N2O3S2 — CID 135548678

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H12N2O3S2/c20-13-5-1-11(2-6-13)9-15-16(22)19(17(23)24-15)18-10-12-3-7-14(21)8-4-12/h1-10,20-21H/b15-9-,18-10+
InChIKeyFWENLZVISCLCNP-PFVOVTSXSA-N
MW356.43 g/mol
LogP3.33
Rot. Bonds3

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 135548678) has the molecular formula C17H12N2O3S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID135548678
Molecular FormulaC17H12N2O3S2
Molecular Weight356.43 g/mol
Exact Mass356.03
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H12N2O3S2/c20-13-5-1-11(2-6-13)9-15-16(22)19(17(23)24-15)18-10-12-3-7-14(21)8-4-12/h1-10,20-21H/b15-9-,18-10+
InChIKeyFWENLZVISCLCNP-PFVOVTSXSA-N
XLogP3.33
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135650601
o-Hydroxybenzylideneaminorhodanine
CID 97410
Rhodanine, 3-salicylideneamino-
CID 135473713
N'-(4-hydroxybenzylidene)-3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
CID 135426219
4-Thiazolidinone, 3-(((2-hydroxyphenyl)methylene)amino)-5-(phenylmethylene)-2-thioxo-
CID 135418575
2-((5-(Benzylthio)1,3,4-thiadiazol-2-YL)thio)N'-(4-HO-benzylidene)acetohydrazide
CID 135642138
(Z)-3-Amino-5-(4''-hydroxybenzylidene)-2-thioxothiazolidin-4-one
CID 1287044
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 136276906
Alr2-IN-2
CID 166176995
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172451219
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172457265
(5Z)-3-[(E)-benzylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172463273

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 135548678) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FWENLZVISCLCNP-PFVOVTSXSA-N. The full InChI is InChI=1S/C17H12N2O3S2/c20-13-5-1-11(2-6-13)9-15-16(22)19(17(23)24-15)18-10-12-3-7-14(21)8-4-12/h1-10,20-21H/b15-9-,18-10+.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 135548678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).