2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H15N3O3S — CID 168573836

IUPAC2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1c(C)cc(O)c(C=NN=C2NC(=O)CS2)c1C
InChIInChI=1S/C13H15N3O3S/c1-7-4-10(17)9(8(2)12(7)19-3)5-14-16-13-15-11(18)6-20-13/h4-5,17H,6H2,1-3H3,(H,15,16,18)
InChIKeyFXCNQOGKMWVZMF-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.57
Rot. Bonds3

About 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168573836) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168573836
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1c(C)cc(O)c(C=NN=C2NC(=O)CS2)c1C
InChIInChI=1S/C13H15N3O3S/c1-7-4-10(17)9(8(2)12(7)19-3)5-14-16-13-15-11(18)6-20-13/h4-5,17H,6H2,1-3H3,(H,15,16,18)
InChIKeyFXCNQOGKMWVZMF-UHFFFAOYSA-N
XLogP1.57
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.57
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-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575165
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135615495
2-[[2-(chloromethyl)-4,6-dihydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575175
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573853
2-[[3-bromo-2-methoxy-6-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574577
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168573836) is 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1c(C)cc(O)c(C=NN=C2NC(=O)CS2)c1C.
What is the InChIKey of 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FXCNQOGKMWVZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-4-10(17)9(8(2)12(7)19-3)5-14-16-13-15-11(18)6-20-13/h4-5,17H,6H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168573836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).