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

C12H13N3O3S — CID 168575165

IUPAC2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(C)c(C=NN=C2NC(=O)CS2)c(O)c1
InChIInChI=1S/C12H13N3O3S/c1-7-3-8(18-2)4-10(16)9(7)5-13-15-12-14-11(17)6-19-12/h3-5,16H,6H2,1-2H3,(H,14,15,17)
InChIKeySFJATQAMXMFIAI-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.26
Rot. Bonds3

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

2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575165) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575165
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(C)c(C=NN=C2NC(=O)CS2)c(O)c1
InChIInChI=1S/C12H13N3O3S/c1-7-3-8(18-2)4-10(16)9(7)5-13-15-12-14-11(17)6-19-12/h3-5,16H,6H2,1-2H3,(H,14,15,17)
InChIKeySFJATQAMXMFIAI-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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-[(6-hydroxy-3-methoxy-2,4-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573836
(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
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168622010
(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-[(2-iodo-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574738
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-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575165) is 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(C)c(C=NN=C2NC(=O)CS2)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SFJATQAMXMFIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-3-8(18-2)4-10(16)9(7)5-13-15-12-14-11(17)6-19-12/h3-5,16H,6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).