2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine

C11H12FN3OS — CID 55240846

IUPAC2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1nnc(Sc2ccc(F)cc2CCN)o1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-3-2-9(12)6-8(10)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyBJABGQJSGFTLTM-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine

2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (PubChem CID 55240846) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
PubChem CID55240846
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1nnc(Sc2ccc(F)cc2CCN)o1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-3-2-9(12)6-8(10)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyBJABGQJSGFTLTM-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (CID 55240846) is 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is Cc1nnc(Sc2ccc(F)cc2CCN)o1.
What is the InChIKey of 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The InChIKey is BJABGQJSGFTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-3-2-9(12)6-8(10)4-5-13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine has a molecular weight of 253.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 55240846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).