1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine

C11H12FN3S2 — CID 55019041

IUPAC1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1nncs1)c1ccccc1F
InChIInChI=1S/C11H12FN3S2/c1-7(13)10(17-11-15-14-6-16-11)8-4-2-3-5-9(8)12/h2-7,10H,13H2,1H3
InChIKeyHTOUFASHQWZRJA-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine

1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine (PubChem CID 55019041) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
PubChem CID55019041
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1nncs1)c1ccccc1F
InChIInChI=1S/C11H12FN3S2/c1-7(13)10(17-11-15-14-6-16-11)8-4-2-3-5-9(8)12/h2-7,10H,13H2,1H3
InChIKeyHTOUFASHQWZRJA-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine (CID 55019041) is 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine is CC(N)C(Sc1nncs1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The InChIKey is HTOUFASHQWZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7(13)10(17-11-15-14-6-16-11)8-4-2-3-5-9(8)12/h2-7,10H,13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine has a molecular weight of 269.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 55019041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).