(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C19H13N3O2S2 — CID 18844481

IUPAC(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N/c2nccs2)N1c1ccccc1
InChIInChI=1S/C19H13N3O2S2/c23-15-8-6-13(7-9-15)12-16-17(24)22(14-4-2-1-3-5-14)19(26-16)21-18-20-10-11-25-18/h1-12,23H/b16-12-,21-19+
InChIKeyBTRHBJIYNQHEDU-ROLOMRMFSA-N
MW379.47 g/mol
LogP4.66
Rot. Bonds3

About (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 18844481) has the molecular formula C19H13N3O2S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID18844481
Molecular FormulaC19H13N3O2S2
Molecular Weight379.47 g/mol
Exact Mass379.04
IUPAC Name(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N/c2nccs2)N1c1ccccc1
InChIInChI=1S/C19H13N3O2S2/c23-15-8-6-13(7-9-15)12-16-17(24)22(14-4-2-1-3-5-14)19(26-16)21-18-20-10-11-25-18/h1-12,23H/b16-12-,21-19+
InChIKeyBTRHBJIYNQHEDU-ROLOMRMFSA-N
XLogP4.66
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 1382344
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844498
(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844577
(2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844576
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844503
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844496
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
3-[[(5Z)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846573
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
3-[4-[(E)-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43862158
(2E,5Z)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845594
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 18844481) is (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)S/C(=N/c2nccs2)N1c1ccccc1.
What is the InChIKey of (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is BTRHBJIYNQHEDU-ROLOMRMFSA-N. The full InChI is InChI=1S/C19H13N3O2S2/c23-15-8-6-13(7-9-15)12-16-17(24)22(14-4-2-1-3-5-14)19(26-16)21-18-20-10-11-25-18/h1-12,23H/b16-12-,21-19+.
What are the key properties of (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 379.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).