2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide

C6H7F3N4OS — CID 107304721

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C6H7F3N4OS/c1-2(3(10)14)11-5-12-4(13-15-5)6(7,8)9/h2H,1H3,(H2,10,14)(H,11,12,13)
InChIKeyZVSSWTKBIDTBGG-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.84
Rot. Bonds3

About 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304721) has the molecular formula C6H7F3N4OS and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304721
Molecular FormulaC6H7F3N4OS
Molecular Weight240.21 g/mol
Exact Mass240.03
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C6H7F3N4OS/c1-2(3(10)14)11-5-12-4(13-15-5)6(7,8)9/h2H,1H3,(H2,10,14)(H,11,12,13)
InChIKeyZVSSWTKBIDTBGG-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304721) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CC(Nc1nc(C(F)(F)F)ns1)C(N)=O.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is ZVSSWTKBIDTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS/c1-2(3(10)14)11-5-12-4(13-15-5)6(7,8)9/h2H,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 240.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107304721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).