5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine

C13H9F2N3OS — CID 43658639

IUPAC5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C13H9F2N3OS/c1-6-4-10(16)20-11(6)13-17-12(18-19-13)7-2-3-8(14)9(15)5-7/h2-5H,16H2,1H3
InChIKeyIBQFNKDCVFRJPR-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.63
Rot. Bonds2

About 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine

5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 43658639) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID43658639
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C13H9F2N3OS/c1-6-4-10(16)20-11(6)13-17-12(18-19-13)7-2-3-8(14)9(15)5-7/h2-5H,16H2,1H3
InChIKeyIBQFNKDCVFRJPR-UHFFFAOYSA-N
XLogP3.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 43658639) is 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is IBQFNKDCVFRJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-6-4-10(16)20-11(6)13-17-12(18-19-13)7-2-3-8(14)9(15)5-7/h2-5H,16H2,1H3.
What are the key properties of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 43658639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).