1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one

C10H13F3N4OS — CID 146127075

IUPAC1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H13F3N4OS/c1-2-7(18)17-4-3-6(5-17)14-9-15-8(16-19-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyHLTKZIHSCNXDBL-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds3

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

1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 146127075) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID146127075
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H13F3N4OS/c1-2-7(18)17-4-3-6(5-17)14-9-15-8(16-19-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyHLTKZIHSCNXDBL-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one (CID 146127075) is 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is HLTKZIHSCNXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c1-2-7(18)17-4-3-6(5-17)14-9-15-8(16-19-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 294.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 146127075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).