2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol

C17H17N3O2S — CID 136700742

IUPAC2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cccc(C=NNc2nc3ccc(C)cc3s2)c1O
InChIInChI=1S/C17H17N3O2S/c1-3-22-14-6-4-5-12(16(14)21)10-18-20-17-19-13-8-7-11(2)9-15(13)23-17/h4-10,21H,3H2,1-2H3,(H,19,20)
InChIKeyKPSVECZWUUCFSU-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.16
Rot. Bonds5

About 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol

2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 136700742) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID136700742
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cccc(C=NNc2nc3ccc(C)cc3s2)c1O
InChIInChI=1S/C17H17N3O2S/c1-3-22-14-6-4-5-12(16(14)21)10-18-20-17-19-13-8-7-11(2)9-15(13)23-17/h4-10,21H,3H2,1-2H3,(H,19,20)
InChIKeyKPSVECZWUUCFSU-UHFFFAOYSA-N
XLogP4.16
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.16
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'}

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Related Compounds

2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-ethoxyphenol
CID 135684528
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 126225136
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
1-(2,4-dimethylphenyl)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 135715701
1-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 135731060
6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 57395157
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
2-[2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7997533
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol (CID 136700742) is 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1cccc(C=NNc2nc3ccc(C)cc3s2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KPSVECZWUUCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-22-14-6-4-5-12(16(14)21)10-18-20-17-19-13-8-7-11(2)9-15(13)23-17/h4-10,21H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol?
2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 327.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136700742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).