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

C4H4F3N3OS — CID 102630393

IUPAC[5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SC(F)(F)F)o1
InChIInChI=1S/C4H4F3N3OS/c5-4(6,7)12-3-10-9-2(1-8)11-3/h1,8H2
InChIKeySMUNIDRIGYQOLF-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.14
Rot. Bonds2

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

[5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630393) has the molecular formula C4H4F3N3OS and a molecular weight of 199.16 g/mol. Its IUPAC name is [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630393
Molecular FormulaC4H4F3N3OS
Molecular Weight199.16 g/mol
Exact Mass199.00
IUPAC Name[5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SC(F)(F)F)o1
InChIInChI=1S/C4H4F3N3OS/c5-4(6,7)12-3-10-9-2(1-8)11-3/h1,8H2
InChIKeySMUNIDRIGYQOLF-UHFFFAOYSA-N
XLogP1.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630393) is [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SC(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is SMUNIDRIGYQOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3OS/c5-4(6,7)12-3-10-9-2(1-8)11-3/h1,8H2.
What are the key properties of [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 199.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).