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

C13H9ClN4SSe — CID 137301648

IUPAC5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
SMILESNc1nc(-c2cccs2)c(/N=N/c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C13H9ClN4SSe/c14-8-3-5-9(6-4-8)17-18-12-11(16-13(15)20-12)10-2-1-7-19-10/h1-7H,(H2,15,16)/b18-17+
InChIKeyXJFGNBAMBOLTKT-ISLYRVAYSA-N
MW367.72 g/mol
LogP4.52
Rot. Bonds3

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

5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine (PubChem CID 137301648) has the molecular formula C13H9ClN4SSe and a molecular weight of 367.72 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
PubChem CID137301648
Molecular FormulaC13H9ClN4SSe
Molecular Weight367.72 g/mol
Exact Mass367.94
IUPAC Name5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
SMILESNc1nc(-c2cccs2)c(/N=N/c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C13H9ClN4SSe/c14-8-3-5-9(6-4-8)17-18-12-11(16-13(15)20-12)10-2-1-7-19-10/h1-7H,(H2,15,16)/b18-17+
InChIKeyXJFGNBAMBOLTKT-ISLYRVAYSA-N
XLogP4.52
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
CID 137301649
4-chloro-6-thiophen-2-ylpyridin-2-amine
CID 96614063
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
5-[(4-chlorophenyl)diazenyl]-2-[3-(2,5-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-ol
CID 171349327
5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
2,3,5-trichloro-6-thiophen-2-ylpyridine
CID 102752496
2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole
CID 71145033
2-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 1484452
6-chloro-4-thiophen-2-ylpyridin-2-amine
CID 96614062
2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine (CID 137301648) is 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine is Nc1nc(-c2cccs2)c(/N=N/c2ccc(Cl)cc2)[se]1.
What is the InChIKey of 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
The InChIKey is XJFGNBAMBOLTKT-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9ClN4SSe/c14-8-3-5-9(6-4-8)17-18-12-11(16-13(15)20-12)10-2-1-7-19-10/h1-7H,(H2,15,16)/b18-17+.
What are the key properties of 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine?
5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine has a molecular weight of 367.72 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine is sourced from PubChem (CID 137301648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).