2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole

C15H12N4O4S — CID 161335808

IUPAC2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1cncs1.Oc1ccccc1/N=N/c1ccccc1O
InChIInChI=1S/C12H10N2O2.C3H2N2O2S/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;6-5(7)3-1-4-2-8-3/h1-8,15-16H;1-2H/b14-13+;
InChIKeyVMADPTDOALPUET-IERUDJENSA-N
MW344.35 g/mol
LogP4.56
Rot. Bonds3

About 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole

2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole (PubChem CID 161335808) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole
PubChem CID161335808
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1cncs1.Oc1ccccc1/N=N/c1ccccc1O
InChIInChI=1S/C12H10N2O2.C3H2N2O2S/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;6-5(7)3-1-4-2-8-3/h1-8,15-16H;1-2H/b14-13+;
InChIKeyVMADPTDOALPUET-IERUDJENSA-N
XLogP4.56
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

N-(2-hydroxyphenyl)iminonitramide
CID 135682003
4-[(2-hydroxyphenyl)diazenyl]-2,6-dinitrobenzene-1,3-diol
CID 136827509
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
5-(2-chloroanilino)-3H-1,3,4-thiadiazole-2-thione;5-nitro-1,3-thiazole
CID 22132864
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
3-[(3-hydroxy-2-methylphenyl)diazenyl]-2-methylphenol;nitrobenzene
CID 159495095
(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
CID 135996780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole?
The IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole (CID 161335808) is 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole.
What is the SMILES notation for 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole?
The canonical SMILES for 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole is O=[N+]([O-])c1cncs1.Oc1ccccc1/N=N/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole?
The InChIKey is VMADPTDOALPUET-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2O2.C3H2N2O2S/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;6-5(7)3-1-4-2-8-3/h1-8,15-16H;1-2H/b14-13+;.
What are the key properties of 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole?
2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole has a molecular weight of 344.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)diazenyl]phenol;5-nitro-1,3-thiazole is sourced from PubChem (CID 161335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).