2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline

C9H7N5O2S — CID 68555912

IUPAC2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1nc([N+](=O)[O-])cs1
InChIInChI=1S/C9H7N5O2S/c10-6-3-1-2-4-7(6)12-13-9-11-8(5-17-9)14(15)16/h1-5H,10H2/b13-12+
InChIKeyYRZCDBJPUGYIFC-OUKQBFOZSA-N
MW249.26 g/mol
LogP3.05
Rot. Bonds3

About 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline

2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline (PubChem CID 68555912) has the molecular formula C9H7N5O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline.

Molecular Properties

Compound Name2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline
PubChem CID68555912
Molecular FormulaC9H7N5O2S
Molecular Weight249.26 g/mol
Exact Mass249.03
IUPAC Name2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1nc([N+](=O)[O-])cs1
InChIInChI=1S/C9H7N5O2S/c10-6-3-1-2-4-7(6)12-13-9-11-8(5-17-9)14(15)16/h1-5H,10H2/b13-12+
InChIKeyYRZCDBJPUGYIFC-OUKQBFOZSA-N
XLogP3.05
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
2-(aminodiazenyl)aniline
CID 18792571
acetylene;2-nitroaniline
CID 142135116
2-(2-aminophenyl)iminoacetic acid
CID 89155103
2-[(2-amino-6-nitrophenyl)diazenyl]-3-nitroaniline
CID 141030925
5-[(E)-(2-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059661
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The IUPAC name of 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline (CID 68555912) is 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline.
What is the SMILES notation for 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The canonical SMILES for 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline is Nc1ccccc1/N=N/c1nc([N+](=O)[O-])cs1.
What is the InChIKey of 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The InChIKey is YRZCDBJPUGYIFC-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H7N5O2S/c10-6-3-1-2-4-7(6)12-13-9-11-8(5-17-9)14(15)16/h1-5H,10H2/b13-12+.
What are the key properties of 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline has a molecular weight of 249.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline is sourced from PubChem (CID 68555912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).