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

C15H13N3O2S2 — CID 18844281

IUPAC(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2nccs2)N(C)C1=O)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2S2/c1-9(10-3-5-11(19)6-4-10)12-13(20)18(2)15(22-12)17-14-16-7-8-21-14/h3-8,19H,1-2H3/b12-9-,17-15+
InChIKeyYSYWPWUBYPUVDH-AWGMXQMZSA-N
MW331.42 g/mol
LogP3.47
Rot. Bonds2

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

(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 18844281) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID18844281
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2nccs2)N(C)C1=O)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2S2/c1-9(10-3-5-11(19)6-4-10)12-13(20)18(2)15(22-12)17-14-16-7-8-21-14/h3-8,19H,1-2H3/b12-9-,17-15+
InChIKeyYSYWPWUBYPUVDH-AWGMXQMZSA-N
XLogP3.47
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.47
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

(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845801
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18844781
(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845601
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidin-4-one
CID 18843355
(2E,5E)-5-(furan-2-ylmethylidene)-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844230
3-[[(5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846278
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844481
(2E,5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844194
2-[2-[(E)-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 43862538
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844207
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842220
(2E,5Z)-3-methyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844210

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 18844281) is (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N/c2nccs2)N(C)C1=O)c1ccc(O)cc1.
What is the InChIKey of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is YSYWPWUBYPUVDH-AWGMXQMZSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9(10-3-5-11(19)6-4-10)12-13(20)18(2)15(22-12)17-14-16-7-8-21-14/h3-8,19H,1-2H3/b12-9-,17-15+.
What are the key properties of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).