1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one

C15H21N5OS — CID 72838541

IUPAC1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCc1nn(C)c2nc(N3CCCC(N4CCCC4=O)C3)sc12
InChIInChI=1S/C15H21N5OS/c1-10-13-14(18(2)17-10)16-15(22-13)19-7-3-5-11(9-19)20-8-4-6-12(20)21/h11H,3-9H2,1-2H3
InChIKeyXXZJLAIPFJGPLO-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one

1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 72838541) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID72838541
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCc1nn(C)c2nc(N3CCCC(N4CCCC4=O)C3)sc12
InChIInChI=1S/C15H21N5OS/c1-10-13-14(18(2)17-10)16-15(22-13)19-7-3-5-11(9-19)20-8-4-6-12(20)21/h11H,3-9H2,1-2H3
InChIKeyXXZJLAIPFJGPLO-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97286238
methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
CID 72940132
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 95563509
9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 72862125
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one (CID 72838541) is 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one is Cc1nn(C)c2nc(N3CCCC(N4CCCC4=O)C3)sc12.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is XXZJLAIPFJGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-13-14(18(2)17-10)16-15(22-13)19-7-3-5-11(9-19)20-8-4-6-12(20)21/h11H,3-9H2,1-2H3.
What are the key properties of 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one?
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 319.43 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 72838541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).