2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid

C15H16F3N3O2S — CID 158393620

IUPAC2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2nnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C13H15N3S.C2HF3O2/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;3-2(4,5)1(6)7/h1-5,11,14H,6-9H2;(H,6,7)
InChIKeyGXGVYPQLXBBJSY-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.31
Rot. Bonds2

About 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid

2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid (PubChem CID 158393620) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
PubChem CID158393620
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2nnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C13H15N3S.C2HF3O2/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;3-2(4,5)1(6)7/h1-5,11,14H,6-9H2;(H,6,7)
InChIKeyGXGVYPQLXBBJSY-UHFFFAOYSA-N
XLogP3.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid (CID 158393620) is 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(-c2nnc(C3CCNCC3)s2)cc1.
What is the InChIKey of 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is GXGVYPQLXBBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.C2HF3O2/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;3-2(4,5)1(6)7/h1-5,11,14H,6-9H2;(H,6,7).
What are the key properties of 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid?
2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 359.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-piperidin-4-yl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158393620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).