2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol

C15H13N3O4S — CID 136912815

IUPAC2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N\NC2=NS(=O)(=O)c3ccccc32)c1O
InChIInChI=1S/C15H13N3O4S/c1-22-12-7-4-5-10(14(12)19)9-16-17-15-11-6-2-3-8-13(11)23(20,21)18-15/h2-9,19H,1H3,(H,17,18)/b16-9-
InChIKeyJMHRJGJGDVHVNB-SXGWCWSVSA-N
MW331.35 g/mol
LogP1.47
Rot. Bonds3

About 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol

2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 136912815) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID136912815
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N\NC2=NS(=O)(=O)c3ccccc32)c1O
InChIInChI=1S/C15H13N3O4S/c1-22-12-7-4-5-10(14(12)19)9-16-17-15-11-6-2-3-8-13(11)23(20,21)18-15/h2-9,19H,1H3,(H,17,18)/b16-9-
InChIKeyJMHRJGJGDVHVNB-SXGWCWSVSA-N
XLogP1.47
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.47
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'}

Analyze 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol with MolForge

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Related Compounds

[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
CID 135484834
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 136912815) is 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N\NC2=NS(=O)(=O)c3ccccc32)c1O.
What is the InChIKey of 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is JMHRJGJGDVHVNB-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-22-12-7-4-5-10(14(12)19)9-16-17-15-11-6-2-3-8-13(11)23(20,21)18-15/h2-9,19H,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 331.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 136912815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).