4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C9H8F3N3OS — CID 61392894

IUPAC4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H8F3N3OS/c1-4-2-5(13)17-7(4)8-14-6(15-16-8)3-9(10,11)12/h2H,3,13H2,1H3
InChIKeyIVIVIYPMTVQAJZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.79
Rot. Bonds2

About 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 61392894) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID61392894
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H8F3N3OS/c1-4-2-5(13)17-7(4)8-14-6(15-16-8)3-9(10,11)12/h2H,3,13H2,1H3
InChIKeyIVIVIYPMTVQAJZ-UHFFFAOYSA-N
XLogP2.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 61392894) is 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cc(N)sc1-c1nc(CC(F)(F)F)no1.
What is the InChIKey of 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is IVIVIYPMTVQAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-4-2-5(13)17-7(4)8-14-6(15-16-8)3-9(10,11)12/h2H,3,13H2,1H3.
What are the key properties of 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 263.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 61392894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).