[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C5H6F3N3OS — CID 102630348

IUPAC[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCC(F)(F)F)o1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-13-4-11-10-3(1-9)12-4/h1-2,9H2
InChIKeyHOHBSJNSLVZFSB-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.18
Rot. Bonds3

About [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630348) has the molecular formula C5H6F3N3OS and a molecular weight of 213.18 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630348
Molecular FormulaC5H6F3N3OS
Molecular Weight213.18 g/mol
Exact Mass213.02
IUPAC Name[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCC(F)(F)F)o1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-13-4-11-10-3(1-9)12-4/h1-2,9H2
InChIKeyHOHBSJNSLVZFSB-UHFFFAOYSA-N
XLogP1.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630348) is [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCC(F)(F)F)o1.
What is the InChIKey of [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HOHBSJNSLVZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3OS/c6-5(7,8)2-13-4-11-10-3(1-9)12-4/h1-2,9H2.
What are the key properties of [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 213.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).