(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C22H16N2O3S — CID 1382344

IUPAC(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3S/c25-18-10-6-16(7-11-18)23-22-24(17-8-12-19(26)13-9-17)21(27)20(28-22)14-15-4-2-1-3-5-15/h1-14,25-26H/b20-14-,23-22-
InChIKeyYSXSVVSODZHCHG-DJOYVXLESA-N
MW388.45 g/mol
LogP4.91
Rot. Bonds3

About (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1382344) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1382344
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3S/c25-18-10-6-16(7-11-18)23-22-24(17-8-12-19(26)13-9-17)21(27)20(28-22)14-15-4-2-1-3-5-15/h1-14,25-26H/b20-14-,23-22-
InChIKeyYSXSVVSODZHCHG-DJOYVXLESA-N
XLogP4.91
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
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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Related Compounds

(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126025956
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844481
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
(5E)-5-[[4-(furan-2-yl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 44515522
3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2856052
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403
5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 76659779
5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2858828
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 8990796
(5E)-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126087091
3-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846546

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 1382344) is (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is YSXSVVSODZHCHG-DJOYVXLESA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-18-10-6-16(7-11-18)23-22-24(17-8-12-19(26)13-9-17)21(27)20(28-22)14-15-4-2-1-3-5-15/h1-14,25-26H/b20-14-,23-22-.
What are the key properties of (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 388.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1382344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).