1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol

C5H7FN2OS2 — CID 131219860

IUPAC1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1ncns1
InChIInChI=1S/C5H7FN2OS2/c6-1-4(9)2-10-5-7-3-8-11-5/h3-4,9H,1-2H2
InChIKeyAKUUUKGYMKDQLH-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.96
Rot. Bonds4

About 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol

1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol (PubChem CID 131219860) has the molecular formula C5H7FN2OS2 and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol
PubChem CID131219860
Molecular FormulaC5H7FN2OS2
Molecular Weight194.26 g/mol
Exact Mass194.00
IUPAC Name1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1ncns1
InChIInChI=1S/C5H7FN2OS2/c6-1-4(9)2-10-5-7-3-8-11-5/h3-4,9H,1-2H2
InChIKeyAKUUUKGYMKDQLH-UHFFFAOYSA-N
XLogP0.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol (CID 131219860) is 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol is OC(CF)CSc1ncns1.
What is the InChIKey of 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol?
The InChIKey is AKUUUKGYMKDQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2OS2/c6-1-4(9)2-10-5-7-3-8-11-5/h3-4,9H,1-2H2.
What are the key properties of 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol?
1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol has a molecular weight of 194.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 131219860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).