1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C10H14F3N3OS — CID 80621205

IUPAC1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(C2CCCCS2)no1)C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-18-6/h6H,2-5,14H2,1H3
InChIKeyCGKJHKUEWQWNOV-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.76
Rot. Bonds2

About 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 80621205) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID80621205
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(C2CCCCS2)no1)C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-18-6/h6H,2-5,14H2,1H3
InChIKeyCGKJHKUEWQWNOV-UHFFFAOYSA-N
XLogP2.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 80621205) is 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)(c1nc(C2CCCCS2)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is CGKJHKUEWQWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-18-6/h6H,2-5,14H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 281.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 80621205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).