N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine

C10H10F3N3OS — CID 136574183

IUPACN-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)CCc1noc(NCc2ccsc2)n1
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)3-1-8-15-9(17-16-8)14-5-7-2-4-18-6-7/h2,4,6H,1,3,5H2,(H,14,15,16)
InChIKeyYVOIOYWWIJPINV-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.24
Rot. Bonds5

About N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine

N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 136574183) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine
PubChem CID136574183
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC NameN-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)CCc1noc(NCc2ccsc2)n1
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)3-1-8-15-9(17-16-8)14-5-7-2-4-18-6-7/h2,4,6H,1,3,5H2,(H,14,15,16)
InChIKeyYVOIOYWWIJPINV-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-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 N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine (CID 136574183) is N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine is FC(F)(F)CCc1noc(NCc2ccsc2)n1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YVOIOYWWIJPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c11-10(12,13)3-1-8-15-9(17-16-8)14-5-7-2-4-18-6-7/h2,4,6H,1,3,5H2,(H,14,15,16).
What are the key properties of N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine?
N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 277.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 136574183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).