(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid

C9H8F3N3O3S — CID 175878548

IUPAC(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1nnc(-c2cccs2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3OS.C2HF3O2/c8-4-6-9-10-7(11-6)5-2-1-3-12-5;3-2(4,5)1(6)7/h1-3H,4,8H2;(H,6,7)
InChIKeySQGDCXUFHPBOFD-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.89
Rot. Bonds2

About (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 175878548) has the molecular formula C9H8F3N3O3S and a molecular weight of 295.24 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID175878548
Molecular FormulaC9H8F3N3O3S
Molecular Weight295.24 g/mol
Exact Mass295.02
IUPAC Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1nnc(-c2cccs2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3OS.C2HF3O2/c8-4-6-9-10-7(11-6)5-2-1-3-12-5;3-2(4,5)1(6)7/h1-3H,4,8H2;(H,6,7)
InChIKeySQGDCXUFHPBOFD-UHFFFAOYSA-N
XLogP1.89
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid (CID 175878548) is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid is NCc1nnc(-c2cccs2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SQGDCXUFHPBOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS.C2HF3O2/c8-4-6-9-10-7(11-6)5-2-1-3-12-5;3-2(4,5)1(6)7/h1-3H,4,8H2;(H,6,7).
What are the key properties of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid?
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 295.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175878548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).