1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine

C12H14FN3OS — CID 55053397

IUPAC1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nnc(C)o1
InChIInChI=1S/C12H14FN3OS/c1-7(14-3)11-9(13)5-4-6-10(11)18-12-16-15-8(2)17-12/h4-7,14H,1-3H3
InChIKeyPVAQAIBZSGFARZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine

1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine (PubChem CID 55053397) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
PubChem CID55053397
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nnc(C)o1
InChIInChI=1S/C12H14FN3OS/c1-7(14-3)11-9(13)5-4-6-10(11)18-12-16-15-8(2)17-12/h4-7,14H,1-3H3
InChIKeyPVAQAIBZSGFARZ-UHFFFAOYSA-N
XLogP2.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine (CID 55053397) is 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1nnc(C)o1.
What is the InChIKey of 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The InChIKey is PVAQAIBZSGFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-7(14-3)11-9(13)5-4-6-10(11)18-12-16-15-8(2)17-12/h4-7,14H,1-3H3.
What are the key properties of 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 55053397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).