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

C13H10FN3OS2 — CID 66069781

IUPAC5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CSc3cccc(F)c3)no2)s1
InChIInChI=1S/C13H10FN3OS2/c14-8-2-1-3-9(6-8)19-7-12-16-13(18-17-12)10-4-5-11(15)20-10/h1-6H,7,15H2
InChIKeyBPIJZAWWAROQGN-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.81
Rot. Bonds4

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

5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 66069781) has the molecular formula C13H10FN3OS2 and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID66069781
Molecular FormulaC13H10FN3OS2
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CSc3cccc(F)c3)no2)s1
InChIInChI=1S/C13H10FN3OS2/c14-8-2-1-3-9(6-8)19-7-12-16-13(18-17-12)10-4-5-11(15)20-10/h1-6H,7,15H2
InChIKeyBPIJZAWWAROQGN-UHFFFAOYSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 66069781) is 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(CSc3cccc(F)c3)no2)s1.
What is the InChIKey of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is BPIJZAWWAROQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS2/c14-8-2-1-3-9(6-8)19-7-12-16-13(18-17-12)10-4-5-11(15)20-10/h1-6H,7,15H2.
What are the key properties of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 307.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 66069781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).