5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine

C12H10N4OS — CID 107811588

IUPAC5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C12H10N4OS/c13-8-4-7(5-9(14)6-8)12-15-11(16-17-12)10-2-1-3-18-10/h1-6H,13-14H2
InChIKeyGJLSATZVVBKTJQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.63
Rot. Bonds2

About 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine

5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine (PubChem CID 107811588) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
PubChem CID107811588
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C12H10N4OS/c13-8-4-7(5-9(14)6-8)12-15-11(16-17-12)10-2-1-3-18-10/h1-6H,13-14H2
InChIKeyGJLSATZVVBKTJQ-UHFFFAOYSA-N
XLogP2.63
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 23047526
4-[(E)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115342401
5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43325498
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888

Frequently Asked Questions

What is the IUPAC name of 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine?
The IUPAC name of 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine (CID 107811588) is 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine is Nc1cc(N)cc(-c2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine?
The InChIKey is GJLSATZVVBKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-8-4-7(5-9(14)6-8)12-15-11(16-17-12)10-2-1-3-18-10/h1-6H,13-14H2.
What are the key properties of 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine?
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine has a molecular weight of 258.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 107811588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).