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

C16H22F2N4OS — CID 155975921

IUPAC[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nnc(C3CC3)s2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4OS/c17-16(18)5-9-21(10-6-16)14(23)12-3-7-22(8-4-12)15-20-19-13(24-15)11-1-2-11/h11-12H,1-10H2
InChIKeyZYCSOEYWQVTVAF-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.89
Rot. Bonds3

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

[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155975921) has the molecular formula C16H22F2N4OS and a molecular weight of 356.44 g/mol. Its IUPAC name is [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155975921
Molecular FormulaC16H22F2N4OS
Molecular Weight356.44 g/mol
Exact Mass356.15
IUPAC Name[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nnc(C3CC3)s2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4OS/c17-16(18)5-9-21(10-6-16)14(23)12-3-7-22(8-4-12)15-20-19-13(24-15)11-1-2-11/h11-12H,1-10H2
InChIKeyZYCSOEYWQVTVAF-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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Related Compounds

[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974609
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 166605821
(4,4-difluoropiperidin-1-yl)-[1-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methanone
CID 165433200
(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
CID 163346052
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357830
(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 155975921) is [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(c2nnc(C3CC3)s2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is ZYCSOEYWQVTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4OS/c17-16(18)5-9-21(10-6-16)14(23)12-3-7-22(8-4-12)15-20-19-13(24-15)11-1-2-11/h11-12H,1-10H2.
What are the key properties of [1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155975921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).