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

C16H13N3OS — CID 135521784

IUPAC2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c20-15-9-5-4-8-13(15)10-17-19-16-18-14(11-21-16)12-6-2-1-3-7-12/h1-11,20H,(H,18,19)/b17-10+
InChIKeyWOEBAKPXJFRAPH-LICLKQGHSA-N
MW295.37 g/mol
LogP3.96
Rot. Bonds4

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

2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135521784) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135521784
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c20-15-9-5-4-8-13(15)10-17-19-16-18-14(11-21-16)12-6-2-1-3-7-12/h1-11,20H,(H,18,19)/b17-10+
InChIKeyWOEBAKPXJFRAPH-LICLKQGHSA-N
XLogP3.96
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
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
2-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135460716
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786
4-{(1E)-1-[2-(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl}phenol
CID 135492174
2-Hydroxybenzaldehyde-(2-benzothiazolylhydrazone)
CID 234605
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135521784) is 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is WOEBAKPXJFRAPH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15-9-5-4-8-13(15)10-17-19-16-18-14(11-21-16)12-6-2-1-3-7-12/h1-11,20H,(H,18,19)/b17-10+.
What are the key properties of 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 295.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135521784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).