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

C17H15N3OS — CID 2792226

IUPAC3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1sc(NN=Cc2cccc(O)c2)nc1-c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-16(14-7-3-2-4-8-14)19-17(22-12)20-18-11-13-6-5-9-15(21)10-13/h2-11,21H,1H3,(H,19,20)
InChIKeyZQQQXHRRHIICQJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.27
Rot. Bonds4

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

3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 2792226) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID2792226
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1sc(NN=Cc2cccc(O)c2)nc1-c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-16(14-7-3-2-4-8-14)19-17(22-12)20-18-11-13-6-5-9-15(21)10-13/h2-11,21H,1H3,(H,19,20)
InChIKeyZQQQXHRRHIICQJ-UHFFFAOYSA-N
XLogP4.27
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 2792226) is 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1sc(NN=Cc2cccc(O)c2)nc1-c1ccccc1.
What is the InChIKey of 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ZQQQXHRRHIICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-16(14-7-3-2-4-8-14)19-17(22-12)20-18-11-13-6-5-9-15(21)10-13/h2-11,21H,1H3,(H,19,20).
What are the key properties of 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 309.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2792226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).