1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine

C5H6F3N3S — CID 82399164

IUPAC1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESNC(Cc1ncns1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)3(9)1-4-10-2-11-12-4/h2-3H,1,9H2
InChIKeyCFQZJGGQUXBGCY-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.97
Rot. Bonds2

About 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine

1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 82399164) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID82399164
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC Name1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESNC(Cc1ncns1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)3(9)1-4-10-2-11-12-4/h2-3H,1,9H2
InChIKeyCFQZJGGQUXBGCY-UHFFFAOYSA-N
XLogP0.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazole
CID 173596685
2-Fluoro-2-(1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84021211
2-(1,2,4-Thiadiazol-5-yl)ethanamine
CID 65279902
N-methyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65279995
N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280057
1-(1,2,4-Thiadiazol-5-yl)propan-2-amine
CID 65280170
1-(1,2,4-Thiadiazol-5-yl)pentan-2-amine
CID 65280234
N-methyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280243
N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280306
3-(1,2,4-Thiadiazol-5-yl)butan-2-amine
CID 65280359
N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280368
3-(1,2,4-Thiadiazol-5-yl)pentan-2-amine
CID 65280488

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine (CID 82399164) is 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine is NC(Cc1ncns1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is CFQZJGGQUXBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)3(9)1-4-10-2-11-12-4/h2-3H,1,9H2.
What are the key properties of 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine?
1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 197.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82399164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).