(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C11H14F3N3OS — CID 51929053

IUPAC(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3OS/c1-2-8-9(19-16-15-8)10(18)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFVWROQIMOKLKFY-SSDOTTSWSA-N
MW293.31 g/mol
LogP2.52
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 51929053) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID51929053
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3OS/c1-2-8-9(19-16-15-8)10(18)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFVWROQIMOKLKFY-SSDOTTSWSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 51929053) is (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is FVWROQIMOKLKFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-2-8-9(19-16-15-8)10(18)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 293.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 51929053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).