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

C10H13F3N4OS — CID 107305116

IUPAC1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCCC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-4-3-7(18)17-5-1-2-6-17/h1-6H2,(H,14,15,16)
InChIKeyLRUPDXPWOWCYMI-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds4

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

1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (PubChem CID 107305116) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
PubChem CID107305116
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCCC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-4-3-7(18)17-5-1-2-6-17/h1-6H2,(H,14,15,16)
InChIKeyLRUPDXPWOWCYMI-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (CID 107305116) is 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is O=C(CCNc1nc(C(F)(F)F)ns1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The InChIKey is LRUPDXPWOWCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-4-3-7(18)17-5-1-2-6-17/h1-6H2,(H,14,15,16).
What are the key properties of 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one has a molecular weight of 294.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is sourced from PubChem (CID 107305116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).