2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

C10H8N4O3S — CID 135570869

IUPAC2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2nccs2)ccc1O
InChIInChI=1S/C10H8N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-6,15H,(H,11,13)/b12-6+
InChIKeyYVFBHCHPXSDCKT-WUXMJOGZSA-N
MW264.27 g/mol
LogP2.20
Rot. Bonds4

About 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135570869) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID135570869
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2nccs2)ccc1O
InChIInChI=1S/C10H8N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-6,15H,(H,11,13)/b12-6+
InChIKeyYVFBHCHPXSDCKT-WUXMJOGZSA-N
XLogP2.20
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.20
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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Related Compounds

2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 136732948
(E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 7971344
4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
CID 177469296
4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 135777358
methyl 4-ethyl-2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822069
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135619471
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 137069778
5-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 136732944

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 135570869) is 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(/C=N/Nc2nccs2)ccc1O.
What is the InChIKey of 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is YVFBHCHPXSDCKT-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-6,15H,(H,11,13)/b12-6+.
What are the key properties of 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 264.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135570869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).