3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

C5H6F3N3S — CID 66898934

IUPAC3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)2-1-3-10-4(9)12-11-3/h1-2H2,(H2,9,10,11)
InChIKeyHBMQZAQNHRICRT-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.62
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 66898934) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID66898934
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)2-1-3-10-4(9)12-11-3/h1-2H2,(H2,9,10,11)
InChIKeyHBMQZAQNHRICRT-UHFFFAOYSA-N
XLogP1.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 66898934) is 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is Nc1nc(CCC(F)(F)F)ns1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HBMQZAQNHRICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)2-1-3-10-4(9)12-11-3/h1-2H2,(H2,9,10,11).
What are the key properties of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66898934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).