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

C15H22F2N4O2S — CID 165435172

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4O2S/c1-23-9-3-12-18-14(24-19-12)21-6-2-11(10-21)13(22)20-7-4-15(16,17)5-8-20/h11H,2-10H2,1H3
InChIKeyRMLTYLORAWQDAL-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.81
Rot. Bonds5

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

(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone (PubChem CID 165435172) has the molecular formula C15H22F2N4O2S and a molecular weight of 360.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
PubChem CID165435172
Molecular FormulaC15H22F2N4O2S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4O2S/c1-23-9-3-12-18-14(24-19-12)21-6-2-11(10-21)13(22)20-7-4-15(16,17)5-8-20/h11H,2-10H2,1H3
InChIKeyRMLTYLORAWQDAL-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
4-(Fluoromethyl)-1-{1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}pyrrolidin-2-one
CID 126899903
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899907
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-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155975982
4-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155976069
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163357889
4,4-Difluoro-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carbonyl]piperidine
CID 165434774
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carbonyl]-4,4-difluoropiperidine
CID 165434974
4,4-Difluoro-1-{1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carbonyl}piperidine
CID 165434975

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone (CID 165435172) is (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone is COCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The InChIKey is RMLTYLORAWQDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2S/c1-23-9-3-12-18-14(24-19-12)21-6-2-11(10-21)13(22)20-7-4-15(16,17)5-8-20/h11H,2-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone has a molecular weight of 360.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165435172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).