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

C18H17N3O2S — CID 135501476

IUPAC2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1O
InChIInChI=1S/C18H17N3O2S/c1-2-23-17-10-13(8-9-16(17)22)11-19-21-18-20-15(12-24-18)14-6-4-3-5-7-14/h3-12,22H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyTZXAQGPILHCVSS-YBFXNURJSA-N
MW339.42 g/mol
LogP4.36
Rot. Bonds6

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

2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135501476) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135501476
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1O
InChIInChI=1S/C18H17N3O2S/c1-2-23-17-10-13(8-9-16(17)22)11-19-21-18-20-15(12-24-18)14-6-4-3-5-7-14/h3-12,22H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyTZXAQGPILHCVSS-YBFXNURJSA-N
XLogP4.36
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.36
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)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135501476) is 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is TZXAQGPILHCVSS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-17-10-13(8-9-16(17)22)11-19-21-18-20-15(12-24-18)14-6-4-3-5-7-14/h3-12,22H,2H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 339.42 g/mol, XLogP of 4.36, 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)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135501476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).