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

C16H12N4O3S — CID 135454414

IUPAC2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1O
InChIInChI=1S/C16H12N4O3S/c21-15-7-6-11(8-14(15)20(22)23)9-17-19-16-18-13(10-24-16)12-4-2-1-3-5-12/h1-10,21H,(H,18,19)/b17-9-
InChIKeyNJULNNGLUDWOBK-MFOYZWKCSA-N
MW340.36 g/mol
LogP3.87
Rot. Bonds5

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

2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135454414) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135454414
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1O
InChIInChI=1S/C16H12N4O3S/c21-15-7-6-11(8-14(15)20(22)23)9-17-19-16-18-13(10-24-16)12-4-2-1-3-5-12/h1-10,21H,(H,18,19)/b17-9-
InChIKeyNJULNNGLUDWOBK-MFOYZWKCSA-N
XLogP3.87
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135454414) is 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1O.
What is the InChIKey of 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NJULNNGLUDWOBK-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-15-7-6-11(8-14(15)20(22)23)9-17-19-16-18-13(10-24-16)12-4-2-1-3-5-12/h1-10,21H,(H,18,19)/b17-9-.
What are the key properties of 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 340.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135454414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).