5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine

C13H9N5O2SSe — CID 137301649

IUPAC5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
SMILESNc1nc(-c2cccs2)c(/N=N/c2ccc([N+](=O)[O-])cc2)[se]1
InChIInChI=1S/C13H9N5O2SSe/c14-13-15-11(10-2-1-7-21-10)12(22-13)17-16-8-3-5-9(6-4-8)18(19)20/h1-7H,(H2,14,15)/b17-16+
InChIKeyORYXVRYTLHJDEF-WUKNDPDISA-N
MW378.28 g/mol
LogP3.77
Rot. Bonds4

About 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine

5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine (PubChem CID 137301649) has the molecular formula C13H9N5O2SSe and a molecular weight of 378.28 g/mol. Its IUPAC name is 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine.

Molecular Properties

Compound Name5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
PubChem CID137301649
Molecular FormulaC13H9N5O2SSe
Molecular Weight378.28 g/mol
Exact Mass378.96
IUPAC Name5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
SMILESNc1nc(-c2cccs2)c(/N=N/c2ccc([N+](=O)[O-])cc2)[se]1
InChIInChI=1S/C13H9N5O2SSe/c14-13-15-11(10-2-1-7-21-10)12(22-13)17-16-8-3-5-9(6-4-8)18(19)20/h1-7H,(H2,14,15)/b17-16+
InChIKeyORYXVRYTLHJDEF-WUKNDPDISA-N
XLogP3.77
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
CID 137301648
(4-nitrophenyl)-phenyldiazene
CID 17222
2-(4-nitrophenyl)thiophene
CID 609512
dithiophen-2-ylmethyl-(4-nitrophenyl)diazene
CID 90915578
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
CID 155557830
1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381256
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 101304417
2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82055161
6-(4-nitrophenyl)-7-thiophen-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44721571

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The IUPAC name of 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine (CID 137301649) is 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine.
What is the SMILES notation for 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The canonical SMILES for 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine is Nc1nc(-c2cccs2)c(/N=N/c2ccc([N+](=O)[O-])cc2)[se]1.
What is the InChIKey of 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The InChIKey is ORYXVRYTLHJDEF-WUKNDPDISA-N. The full InChI is InChI=1S/C13H9N5O2SSe/c14-13-15-11(10-2-1-7-21-10)12(22-13)17-16-8-3-5-9(6-4-8)18(19)20/h1-7H,(H2,14,15)/b17-16+.
What are the key properties of 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine has a molecular weight of 378.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine is sourced from PubChem (CID 137301649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).