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

C15H20F2N4OS — CID 165434974

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N4OS/c16-15(17)4-7-20(8-5-15)13(22)11-3-6-21(9-11)14-18-12(19-23-14)10-1-2-10/h10-11H,1-9H2
InChIKeyJSUGXKQUIQBFSF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.50
Rot. Bonds3

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

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 165434974) has the molecular formula C15H20F2N4OS and a molecular weight of 342.42 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID165434974
Molecular FormulaC15H20F2N4OS
Molecular Weight342.42 g/mol
Exact Mass342.13
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N4OS/c16-15(17)4-7-20(8-5-15)13(22)11-3-6-21(9-11)14-18-12(19-23-14)10-1-2-10/h10-11H,1-9H2
InChIKeyJSUGXKQUIQBFSF-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899790
1-(1-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899812
1-[1-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899893
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899907
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623
1-Methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one
CID 154773262
4-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 155975828
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 155975920
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidine-3-carboxamide
CID 156008796
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163354710
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356356
3-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 163357813

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 165434974) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is JSUGXKQUIQBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4OS/c16-15(17)4-7-20(8-5-15)13(22)11-3-6-21(9-11)14-18-12(19-23-14)10-1-2-10/h10-11H,1-9H2.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.50, 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)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 165434974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).