(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone

C8H9F2N3OS — CID 139028892

IUPAC(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC(F)(F)CC1
InChIInChI=1S/C8H9F2N3OS/c9-8(10)1-3-13(4-2-8)7(14)6-5-15-12-11-6/h5H,1-4H2
InChIKeyUEFMFOFNWOTYHO-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.41
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 139028892) has the molecular formula C8H9F2N3OS and a molecular weight of 233.24 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID139028892
Molecular FormulaC8H9F2N3OS
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC(F)(F)CC1
InChIInChI=1S/C8H9F2N3OS/c9-8(10)1-3-13(4-2-8)7(14)6-5-15-12-11-6/h5H,1-4H2
InChIKeyUEFMFOFNWOTYHO-UHFFFAOYSA-N
XLogP1.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone (CID 139028892) is (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is UEFMFOFNWOTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3OS/c9-8(10)1-3-13(4-2-8)7(14)6-5-15-12-11-6/h5H,1-4H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 233.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 139028892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).