5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C13H15N3O2S — CID 135426289

IUPAC5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2nc(C)cs2)c(O)c1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-5-4-10(12(17)6-11)7-14-16-13-15-9(2)8-19-13/h4-8,17H,3H2,1-2H3,(H,15,16)/b14-7+
InChIKeyUZCLFNGOHMCJAM-VGOFMYFVSA-N
MW277.35 g/mol
LogP3.00
Rot. Bonds5

About 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135426289) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135426289
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2nc(C)cs2)c(O)c1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-5-4-10(12(17)6-11)7-14-16-13-15-9(2)8-19-13/h4-8,17H,3H2,1-2H3,(H,15,16)/b14-7+
InChIKeyUZCLFNGOHMCJAM-VGOFMYFVSA-N
XLogP3.00
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.00
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

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 10399728
(E)-3-(2-(2-(1-(2-hydroxy-4-methoxyphenyl)ethylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one (6j)
CID 137167573
2-[(E)-{2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135608306
4-[(E)-{2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135511397
2-(2-Amino-1,3-thiazol-4-yl)-5-methoxyphenol
CID 2326298
2,3-Dimethoxybenzaldehyde (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 5348765
4-(2,4-dimethoxyphenyl)-N-[(E)-heptan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71739422
4-(2,4-dimethoxyphenyl)-N-[(E)-heptan-3-ylideneamino]-1,3-thiazol-2-amine
CID 71739423
4-(2,4-dimethoxyphenyl)-N-[(E)-octan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71739424
4-(2,4-dimethoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 71741284
N-[(E)-butan-2-ylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 71741285
4-(2,4-dimethoxyphenyl)-N-[(E)-pentan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71741286

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135426289) is 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1ccc(/C=N/Nc2nc(C)cs2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is UZCLFNGOHMCJAM-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-11-5-4-10(12(17)6-11)7-14-16-13-15-9(2)8-19-13/h4-8,17H,3H2,1-2H3,(H,15,16)/b14-7+.
What are the key properties of 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 277.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135426289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).