2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

C12H13N3O3S — CID 135781520

IUPAC2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2nccs2)cc(OC)c1O
InChIInChI=1S/C12H13N3O3S/c1-17-9-5-8(6-10(18-2)11(9)16)7-14-15-12-13-3-4-19-12/h3-7,16H,1-2H3,(H,13,15)/b14-7+
InChIKeyCPKAQTXCWONZDO-VGOFMYFVSA-N
MW279.32 g/mol
LogP2.31
Rot. Bonds5

About 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135781520) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID135781520
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2nccs2)cc(OC)c1O
InChIInChI=1S/C12H13N3O3S/c1-17-9-5-8(6-10(18-2)11(9)16)7-14-15-12-13-3-4-19-12/h3-7,16H,1-2H3,(H,13,15)/b14-7+
InChIKeyCPKAQTXCWONZDO-VGOFMYFVSA-N
XLogP2.31
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135878036
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5349994
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136781775
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
2,6-dimethoxy-4-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162656705
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
2,6-dimethoxy-4-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3747137
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135570869

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 135781520) is 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is COc1cc(/C=N/Nc2nccs2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is CPKAQTXCWONZDO-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-9-5-8(6-10(18-2)11(9)16)7-14-15-12-13-3-4-19-12/h3-7,16H,1-2H3,(H,13,15)/b14-7+.
What are the key properties of 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 279.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135781520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).