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

C15H22F2N4OS — CID 165434975

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
SMILESCC(C)c1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4OS/c1-10(2)12-18-14(23-19-12)21-6-3-11(9-21)13(22)20-7-4-15(16,17)5-8-20/h10-11H,3-9H2,1-2H3
InChIKeySHMAPIPDISWXHO-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.75
Rot. Bonds3

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

(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone (PubChem CID 165434975) has the molecular formula C15H22F2N4OS and a molecular weight of 344.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
PubChem CID165434975
Molecular FormulaC15H22F2N4OS
Molecular Weight344.43 g/mol
Exact Mass344.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone
SMILESCC(C)c1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4OS/c1-10(2)12-18-14(23-19-12)21-6-3-11(9-21)13(22)20-7-4-15(16,17)5-8-20/h10-11H,3-9H2,1-2H3
InChIKeySHMAPIPDISWXHO-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133508427
[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
1-Methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one
CID 154773262

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone (CID 165434975) is (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone is CC(C)c1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
The InChIKey is SHMAPIPDISWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4OS/c1-10(2)12-18-14(23-19-12)21-6-3-11(9-21)13(22)20-7-4-15(16,17)5-8-20/h10-11H,3-9H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone has a molecular weight of 344.43 g/mol, XLogP of 2.75, 3 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-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165434975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).