4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one

C15H23N3O2S — CID 86823313

IUPAC4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H23N3O2S/c1-12-11-21-15(20)18(12)10-14(19)17-8-4-5-13(9-17)16-6-2-3-7-16/h11,13H,2-10H2,1H3
InChIKeyHSLQVTFFINUQIN-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.31
Rot. Bonds3

About 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 86823313) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID86823313
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H23N3O2S/c1-12-11-21-15(20)18(12)10-14(19)17-8-4-5-13(9-17)16-6-2-3-7-16/h11,13H,2-10H2,1H3
InChIKeyHSLQVTFFINUQIN-UHFFFAOYSA-N
XLogP1.31
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one with MolForge

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Related Compounds

3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 86823322
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296
N-cyclopentylsulfonyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 97047069
5-nitro-1-[2-oxo-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethyl]pyridin-2-one
CID 95344927
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
1-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-2-(4-cyclopropyltriazol-1-yl)ethanone
CID 97076394
2-[2-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70705389
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one (CID 86823313) is 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is HSLQVTFFINUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-11-21-15(20)18(12)10-14(19)17-8-4-5-13(9-17)16-6-2-3-7-16/h11,13H,2-10H2,1H3.
What are the key properties of 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 309.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 86823313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).