(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C12H13N3O3S — CID 135898792

IUPAC(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(O)c(/C=N/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C12H13N3O3S/c1-7-11(17)14-12(19-7)15-13-6-8-5-9(18-2)3-4-10(8)16/h3-7,16H,1-2H3,(H,14,15,17)/b13-6+
InChIKeyTVEMJSHEBKSLFL-AWNIVKPZSA-N
MW279.32 g/mol
LogP1.34
Rot. Bonds3

About (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135898792) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135898792
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(O)c(/C=N/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C12H13N3O3S/c1-7-11(17)14-12(19-7)15-13-6-8-5-9(18-2)3-4-10(8)16/h3-7,16H,1-2H3,(H,14,15,17)/b13-6+
InChIKeyTVEMJSHEBKSLFL-AWNIVKPZSA-N
XLogP1.34
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
2-Hydroxybenzaldehyde [5-(4-methoxybenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135472610
(2E)-2-[(E)-(5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066070
(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135419868
(E)-2-((E)-(2-hydroxybenzylidene)hydrazono)-5-(4-methoxybenzyl)thiazolidin-4-one
CID 135645365
3-methoxybenzaldehyde [(2E)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135981156
2-Hydroxybenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135403953
2-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135641784
2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-one
CID 135504330
2-[(2-Hydroxy-benzylidene)-hydrazono]-thiazolidin-4-one
CID 135419502
2-(4-Methoxy-benzylidenehydrazono)-thiazolidin-4-one
CID 137179754
2-Hydroxy-3-methoxybenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135470754

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135898792) is (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is COc1ccc(O)c(/C=N/N=C2/NC(=O)C(C)S2)c1.
What is the InChIKey of (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is TVEMJSHEBKSLFL-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-11(17)14-12(19-7)15-13-6-8-5-9(18-2)3-4-10(8)16/h3-7,16H,1-2H3,(H,14,15,17)/b13-6+.
What are the key properties of (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135898792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).