1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine

C11H12FN3S2 — CID 43286420

IUPAC1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nncs1
InChIInChI=1S/C11H12FN3S2/c1-7(13-2)10-8(12)4-3-5-9(10)17-11-15-14-6-16-11/h3-7,13H,1-2H3
InChIKeyLQNAAAOMAWGJTQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine

1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine (PubChem CID 43286420) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
PubChem CID43286420
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nncs1
InChIInChI=1S/C11H12FN3S2/c1-7(13-2)10-8(12)4-3-5-9(10)17-11-15-14-6-16-11/h3-7,13H,1-2H3
InChIKeyLQNAAAOMAWGJTQ-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.11
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-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine (CID 43286420) is 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1nncs1.
What is the InChIKey of 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine?
The InChIKey is LQNAAAOMAWGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7(13-2)10-8(12)4-3-5-9(10)17-11-15-14-6-16-11/h3-7,13H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.11, 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-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 43286420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).