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

C22H17N3OS — CID 168576801

IUPAC4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
SMILESOc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H17N3OS/c26-19-12-10-16(11-13-19)20-9-5-4-8-18(20)14-23-25-22-24-21(15-27-22)17-6-2-1-3-7-17/h1-15,26H,(H,24,25)
InChIKeyGGGUIFGYMZTWFO-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.63
Rot. Bonds5

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

4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol (PubChem CID 168576801) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
PubChem CID168576801
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
SMILESOc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H17N3OS/c26-19-12-10-16(11-13-19)20-9-5-4-8-18(20)14-23-25-22-24-21(15-27-22)17-6-2-1-3-7-17/h1-15,26H,(H,24,25)
InChIKeyGGGUIFGYMZTWFO-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252
N-[[2-(3,4-dimethoxyphenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576815
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The IUPAC name of 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol (CID 168576801) is 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol.
What is the SMILES notation for 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The canonical SMILES for 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol is Oc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The InChIKey is GGGUIFGYMZTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-19-12-10-16(11-13-19)20-9-5-4-8-18(20)14-23-25-22-24-21(15-27-22)17-6-2-1-3-7-17/h1-15,26H,(H,24,25).
What are the key properties of 4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]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-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol is sourced from PubChem (CID 168576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).