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

C14H12FN3OS2 — CID 66069585

IUPAC5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C14H12FN3OS2/c1-8-5-11(16)21-13(8)14-17-12(18-19-14)7-20-10-4-2-3-9(15)6-10/h2-6H,7,16H2,1H3
InChIKeyMXVZRUAVIODINI-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.12
Rot. Bonds4

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

5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 66069585) has the molecular formula C14H12FN3OS2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID66069585
Molecular FormulaC14H12FN3OS2
Molecular Weight321.40 g/mol
Exact Mass321.04
IUPAC Name5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C14H12FN3OS2/c1-8-5-11(16)21-13(8)14-17-12(18-19-14)7-20-10-4-2-3-9(15)6-10/h2-6H,7,16H2,1H3
InChIKeyMXVZRUAVIODINI-UHFFFAOYSA-N
XLogP4.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.12
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]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 66069585) is 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(CSc2cccc(F)c2)no1.
What is the InChIKey of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is MXVZRUAVIODINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS2/c1-8-5-11(16)21-13(8)14-17-12(18-19-14)7-20-10-4-2-3-9(15)6-10/h2-6H,7,16H2,1H3.
What are the key properties of 5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 321.40 g/mol, XLogP of 4.12, 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]-4-methylthiophen-2-amine is sourced from PubChem (CID 66069585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).