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

C12H8ClN3OS — CID 43152104

IUPAC3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C12H8ClN3OS/c13-8-3-1-2-7(6-8)11-15-12(17-16-11)9-4-5-18-10(9)14/h1-6H,14H2
InChIKeyWEOYAFNPQWRDMP-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.70
Rot. Bonds2

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

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 43152104) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID43152104
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C12H8ClN3OS/c13-8-3-1-2-7(6-8)11-15-12(17-16-11)9-4-5-18-10(9)14/h1-6H,14H2
InChIKeyWEOYAFNPQWRDMP-UHFFFAOYSA-N
XLogP3.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 82809692
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 63652636
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 63096652
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 106950800
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 43152104) is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1sccc1-c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is WEOYAFNPQWRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-8-3-1-2-7(6-8)11-15-12(17-16-11)9-4-5-18-10(9)14/h1-6H,14H2.
What are the key properties of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 277.74 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 43152104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).