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

C6H8F3N3OS — CID 62254880

IUPAC3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SC(CN)C(F)(F)F)o1
InChIInChI=1S/C6H8F3N3OS/c1-3-11-12-5(13-3)14-4(2-10)6(7,8)9/h4H,2,10H2,1H3
InChIKeyFXPCALXTXCFXGM-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.36
Rot. Bonds3

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

3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 62254880) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID62254880
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SC(CN)C(F)(F)F)o1
InChIInChI=1S/C6H8F3N3OS/c1-3-11-12-5(13-3)14-4(2-10)6(7,8)9/h4H,2,10H2,1H3
InChIKeyFXPCALXTXCFXGM-UHFFFAOYSA-N
XLogP1.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (CID 62254880) is 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is Cc1nnc(SC(CN)C(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is FXPCALXTXCFXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3-11-12-5(13-3)14-4(2-10)6(7,8)9/h4H,2,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 227.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 62254880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).