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

C13H18F2N4OS — CID 165434774

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
SMILESCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C13H18F2N4OS/c1-9-16-12(21-17-9)19-5-2-10(8-19)11(20)18-6-3-13(14,15)4-7-18/h10H,2-8H2,1H3
InChIKeyFPEHVHFYOWSAFP-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.93
Rot. Bonds2

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

(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone (PubChem CID 165434774) has the molecular formula C13H18F2N4OS and a molecular weight of 316.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
PubChem CID165434774
Molecular FormulaC13H18F2N4OS
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
SMILESCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C13H18F2N4OS/c1-9-16-12(21-17-9)19-5-2-10(8-19)11(20)18-6-3-13(14,15)4-7-18/h10H,2-8H2,1H3
InChIKeyFPEHVHFYOWSAFP-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-fluoro-N,N-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
CID 126856925
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-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623
[1-(2,2-Difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 136539818
N-propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 137921982
(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 138018740

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone (CID 165434774) is (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone is Cc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The InChIKey is FPEHVHFYOWSAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4OS/c1-9-16-12(21-17-9)19-5-2-10(8-19)11(20)18-6-3-13(14,15)4-7-18/h10H,2-8H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165434774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).