1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine

C10H10FN3S2 — CID 43189361

IUPAC1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Sc2nncs2)c(F)c1
InChIInChI=1S/C10H10FN3S2/c1-6(12)7-2-3-9(8(11)4-7)16-10-14-13-5-15-10/h2-6H,12H2,1H3
InChIKeyRESDOZFCRGKGCR-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine

1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 43189361) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
PubChem CID43189361
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Sc2nncs2)c(F)c1
InChIInChI=1S/C10H10FN3S2/c1-6(12)7-2-3-9(8(11)4-7)16-10-14-13-5-15-10/h2-6H,12H2,1H3
InChIKeyRESDOZFCRGKGCR-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine (CID 43189361) is 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine is CC(N)c1ccc(Sc2nncs2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is RESDOZFCRGKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-6(12)7-2-3-9(8(11)4-7)16-10-14-13-5-15-10/h2-6H,12H2,1H3.
What are the key properties of 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 255.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 43189361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).