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

C15H13N3O2S — CID 135576406

IUPAC4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1O
InChIInChI=1S/C15H13N3O2S/c1-20-13-8-10(6-7-12(13)19)9-16-18-15-17-11-4-2-3-5-14(11)21-15/h2-9,19H,1H3,(H,17,18)/b16-9+
InChIKeyYGYUCPKKRGUHKY-CXUHLZMHSA-N
MW299.36 g/mol
LogP3.46
Rot. Bonds4

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

4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (PubChem CID 135576406) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
PubChem CID135576406
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1O
InChIInChI=1S/C15H13N3O2S/c1-20-13-8-10(6-7-12(13)19)9-16-18-15-17-11-4-2-3-5-14(11)21-15/h2-9,19H,1H3,(H,17,18)/b16-9+
InChIKeyYGYUCPKKRGUHKY-CXUHLZMHSA-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_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

N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510775
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3117869
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510761
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 94845074
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
N-(1,3-benzothiazol-2-yl)-N'-[(3-hydroxy-4-methoxyphenyl)methylideneamino]oxamide
CID 3733845
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 135436860
N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 5334769
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (CID 135576406) is 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1O.
What is the InChIKey of 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The InChIKey is YGYUCPKKRGUHKY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-13-8-10(6-7-12(13)19)9-16-18-15-17-11-4-2-3-5-14(11)21-15/h2-9,19H,1H3,(H,17,18)/b16-9+.
What are the key properties of 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-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 4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 135576406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).