1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

C11H15F3N4OS2 — CID 47086615

IUPAC1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(NCC(F)(F)F)s1)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS2/c12-11(13,14)7-15-9-16-17-10(21-9)20-6-8(19)18-4-2-1-3-5-18/h1-7H2,(H,15,16)
InChIKeyPRWHMTCJOOHSNS-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.62
Rot. Bonds5

About 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 47086615) has the molecular formula C11H15F3N4OS2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
PubChem CID47086615
Molecular FormulaC11H15F3N4OS2
Molecular Weight340.40 g/mol
Exact Mass340.06
IUPAC Name1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(NCC(F)(F)F)s1)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS2/c12-11(13,14)7-15-9-16-17-10(21-9)20-6-8(19)18-4-2-1-3-5-18/h1-7H2,(H,15,16)
InChIKeyPRWHMTCJOOHSNS-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 47086615) is 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(NCC(F)(F)F)s1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is PRWHMTCJOOHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS2/c12-11(13,14)7-15-9-16-17-10(21-9)20-6-8(19)18-4-2-1-3-5-18/h1-7H2,(H,15,16).
What are the key properties of 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 47086615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).