1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C15H24FN5OS — CID 126899812

IUPAC1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCN(C)c1nc(CN2CCC(N3CC(CF)CC3=O)CC2)ns1
InChIInChI=1S/C15H24FN5OS/c1-19(2)15-17-13(18-23-15)10-20-5-3-12(4-6-20)21-9-11(8-16)7-14(21)22/h11-12H,3-10H2,1-2H3
InChIKeyZBTDPDIHEBDOQF-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.39
Rot. Bonds5

About 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899812) has the molecular formula C15H24FN5OS and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899812
Molecular FormulaC15H24FN5OS
Molecular Weight341.46 g/mol
Exact Mass341.17
IUPAC Name1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCN(C)c1nc(CN2CCC(N3CC(CF)CC3=O)CC2)ns1
InChIInChI=1S/C15H24FN5OS/c1-19(2)15-17-13(18-23-15)10-20-5-3-12(4-6-20)21-9-11(8-16)7-14(21)22/h11-12H,3-10H2,1-2H3
InChIKeyZBTDPDIHEBDOQF-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one with MolForge

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 46996800
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46994396
2,2,2-Trifluoro-1-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 86800859
2,2,2-trifluoro-1-[(2S)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787161
2,2,2-trifluoro-1-[(2R)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787162
4-(Fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899790
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-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356124
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899812) is 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is CN(C)c1nc(CN2CCC(N3CC(CF)CC3=O)CC2)ns1.
What is the InChIKey of 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is ZBTDPDIHEBDOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5OS/c1-19(2)15-17-13(18-23-15)10-20-5-3-12(4-6-20)21-9-11(8-16)7-14(21)22/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).