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

C19H19N3O2S — CID 135521842

IUPAC2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1O
InChIInChI=1S/C19H19N3O2S/c1-3-24-17-11-14(9-10-16(17)23)12-20-22-19-21-18(13(2)25-19)15-7-5-4-6-8-15/h4-12,23H,3H2,1-2H3,(H,21,22)/b20-12+
InChIKeyZIKOCONNFCFGEI-UDWIEESQSA-N
MW353.45 g/mol
LogP4.67
Rot. Bonds6

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

2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135521842) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135521842
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1O
InChIInChI=1S/C19H19N3O2S/c1-3-24-17-11-14(9-10-16(17)23)12-20-22-19-21-18(13(2)25-19)15-7-5-4-6-8-15/h4-12,23H,3H2,1-2H3,(H,21,22)/b20-12+
InChIKeyZIKOCONNFCFGEI-UDWIEESQSA-N
XLogP4.67
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135521842) is 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ZIKOCONNFCFGEI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-24-17-11-14(9-10-16(17)23)12-20-22-19-21-18(13(2)25-19)15-7-5-4-6-8-15/h4-12,23H,3H2,1-2H3,(H,21,22)/b20-12+.
What are the key properties of 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 353.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135521842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).