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

C22H17N3OS — CID 136961372

IUPAC4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C22H17N3OS/c26-20-12-6-16(7-13-20)14-23-25-22-24-21(15-27-22)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15,26H,(H,24,25)/b23-14+
InChIKeyMGQSSKCMFTZUOX-OEAKJJBVSA-N
MW371.47 g/mol
LogP5.63
Rot. Bonds5

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

4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 136961372) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID136961372
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C22H17N3OS/c26-20-12-6-16(7-13-20)14-23-25-22-24-21(15-27-22)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15,26H,(H,24,25)/b23-14+
InChIKeyMGQSSKCMFTZUOX-OEAKJJBVSA-N
XLogP5.63
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
Benzaldehyde, 4-hydroxy-, (4-tert-butyl-2-thiazolyl)hydrazone
CID 135492169
4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-{(1E)-1-[2-(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl}phenol
CID 135492174
(E)-4-((2-(benzo[d]thiazol-2-yl)hydrazono)methyl)phenol
CID 135504340
(E)-2-(2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazol-4-yl)phenol (13)
CID 126842668
(E)-3-(2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazol-4-yl)phenol (14)
CID 126842669
(2Z)-2-(4-{[1,1'-Biphenyl]-4-YL}-1,3-thiazol-2-YL)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 135419105
N-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
CID 135558950
3-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162655076
4-[5-(3,4-Dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936028

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 136961372) is 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is MGQSSKCMFTZUOX-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-20-12-6-16(7-13-20)14-23-25-22-24-21(15-27-22)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15,26H,(H,24,25)/b23-14+.
What are the key properties of 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 371.47 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136961372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).