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

C18H17N3O2S — CID 135498601

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-21(2)14-7-3-12(4-8-14)11-16-17(23)20-18(24-16)19-13-5-9-15(22)10-6-13/h3-11,22H,1-2H3,(H,19,20,23)/b16-11-
InChIKeyJWEILOGFOMOOHH-WJDWOHSUSA-N
MW339.42 g/mol
LogP3.35
Rot. Bonds3

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

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135498601) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135498601
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-21(2)14-7-3-12(4-8-14)11-16-17(23)20-18(24-16)19-13-5-9-15(22)10-6-13/h3-11,22H,1-2H3,(H,19,20,23)/b16-11-
InChIKeyJWEILOGFOMOOHH-WJDWOHSUSA-N
XLogP3.35
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-(4-(dimethylamino)benzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
CID 1417792
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
N-(4-hydroxyphenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
CID 1346846
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
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
N-(4-hydroxyphenyl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 1346847
4-{(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl}-N-(4-hydroxyphenyl)butanamide
CID 1347715
4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)butanamide
CID 1416928
4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)butanamide
CID 1416930
3-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide
CID 1419029

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135498601) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is JWEILOGFOMOOHH-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21(2)14-7-3-12(4-8-14)11-16-17(23)20-18(24-16)19-13-5-9-15(22)10-6-13/h3-11,22H,1-2H3,(H,19,20,23)/b16-11-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).