2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

C11H11N3O2S — CID 2789383

IUPAC2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(C=NNc2nccs2)ccc1O
InChIInChI=1S/C11H11N3O2S/c1-16-10-6-8(2-3-9(10)15)7-13-14-11-12-4-5-17-11/h2-7,15H,1H3,(H,12,14)
InChIKeyDPGFFIZIAYAZFE-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.30
Rot. Bonds4

About 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 2789383) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID2789383
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(C=NNc2nccs2)ccc1O
InChIInChI=1S/C11H11N3O2S/c1-16-10-6-8(2-3-9(10)15)7-13-14-11-12-4-5-17-11/h2-7,15H,1H3,(H,12,14)
InChIKeyDPGFFIZIAYAZFE-UHFFFAOYSA-N
XLogP2.30
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135570869
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5349994
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 136914122
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 3578416
2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136910758
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056
2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135878036

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 2789383) is 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is COc1cc(C=NNc2nccs2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is DPGFFIZIAYAZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10-6-8(2-3-9(10)15)7-13-14-11-12-4-5-17-11/h2-7,15H,1H3,(H,12,14).
What are the key properties of 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 249.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 2789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).