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

C11H15F3N4OS — CID 107305110

IUPAC1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(=O)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS/c1-7(8(19)18-5-3-2-4-6-18)15-10-16-9(17-20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16,17)
InChIKeyUOKBQCQTELZMQZ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.37
Rot. Bonds3

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

1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (PubChem CID 107305110) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
PubChem CID107305110
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(=O)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS/c1-7(8(19)18-5-3-2-4-6-18)15-10-16-9(17-20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16,17)
InChIKeyUOKBQCQTELZMQZ-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (CID 107305110) is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is CC(Nc1nc(C(F)(F)F)ns1)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The InChIKey is UOKBQCQTELZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-7(8(19)18-5-3-2-4-6-18)15-10-16-9(17-20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one has a molecular weight of 308.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is sourced from PubChem (CID 107305110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).