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

C7H9F3N4OS2 — CID 47086617

IUPAC2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(NCC(F)(F)F)s1)C(N)=O
InChIInChI=1S/C7H9F3N4OS2/c1-3(4(11)15)16-6-14-13-5(17-6)12-2-7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13)
InChIKeyPSYFWELXAQVRAW-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.48
Rot. Bonds5

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

2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 47086617) has the molecular formula C7H9F3N4OS2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID47086617
Molecular FormulaC7H9F3N4OS2
Molecular Weight286.30 g/mol
Exact Mass286.02
IUPAC Name2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(NCC(F)(F)F)s1)C(N)=O
InChIInChI=1S/C7H9F3N4OS2/c1-3(4(11)15)16-6-14-13-5(17-6)12-2-7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13)
InChIKeyPSYFWELXAQVRAW-UHFFFAOYSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 47086617) is 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(NCC(F)(F)F)s1)C(N)=O.
What is the InChIKey of 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is PSYFWELXAQVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS2/c1-3(4(11)15)16-6-14-13-5(17-6)12-2-7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 286.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 47086617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).