[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C16H22F2N4OS — CID 163358153

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4OS/c17-16(18)5-8-21(9-6-16)14(23)12-2-1-7-22(10-12)15-19-13(20-24-15)11-3-4-11/h11-12H,1-10H2
InChIKeyQATHVUXJYVQYDC-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.89
Rot. Bonds3

About [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163358153) has the molecular formula C16H22F2N4OS and a molecular weight of 356.44 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163358153
Molecular FormulaC16H22F2N4OS
Molecular Weight356.44 g/mol
Exact Mass356.15
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4OS/c17-16(18)5-8-21(9-6-16)14(23)12-2-1-7-22(10-12)15-19-13(20-24-15)11-3-4-11/h11-12H,1-10H2
InChIKeyQATHVUXJYVQYDC-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163358153) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is QATHVUXJYVQYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4OS/c17-16(18)5-8-21(9-6-16)14(23)12-2-1-7-22(10-12)15-19-13(20-24-15)11-3-4-11/h11-12H,1-10H2.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 356.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163358153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).