2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

C15H13N3O2S — CID 136691106

IUPAC2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N\Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-6-7-13(19)10(8-11)9-16-18-15-17-12-4-2-3-5-14(12)21-15/h2-9,19H,1H3,(H,17,18)/b16-9-
InChIKeyMXPNMXIYLWOSNT-SXGWCWSVSA-N
MW299.36 g/mol
LogP3.46
Rot. Bonds4

About 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (PubChem CID 136691106) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
PubChem CID136691106
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N\Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-6-7-13(19)10(8-11)9-16-18-15-17-12-4-2-3-5-14(12)21-15/h2-9,19H,1H3,(H,17,18)/b16-9-
InChIKeyMXPNMXIYLWOSNT-SXGWCWSVSA-N
XLogP3.46
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.46
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)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
bis(2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol);cadmium
CID 135466896
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-methoxyphenol
CID 135818099
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dibromobenzene-1,3-diol
CID 2848685
N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 3692381
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(naphthalen-1-yldiazenyl)phenol
CID 137059830
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
N-[(Z)-[3-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6066301
4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorobenzene-1,3-diol
CID 136787260
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-ethoxyphenol
CID 135684528
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (CID 136691106) is 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol is COc1ccc(O)c(/C=N\Nc2nc3ccccc3s2)c1.
What is the InChIKey of 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The InChIKey is MXPNMXIYLWOSNT-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-11-6-7-13(19)10(8-11)9-16-18-15-17-12-4-2-3-5-14(12)21-15/h2-9,19H,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol has a molecular weight of 299.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol is sourced from PubChem (CID 136691106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).