8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one

C18H26N4O2S — CID 97283258

IUPAC8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC[C@H]1c1nccs1)C2
InChIInChI=1S/C18H26N4O2S/c1-20-8-4-18(5-9-20)11-15(23)21(13-18)12-16(24)22-7-2-3-14(22)17-19-6-10-25-17/h6,10,14H,2-5,7-9,11-13H2,1H3/t14-/m0/s1
InChIKeyDJHUOGGAGNLVBO-AWEZNQCLSA-N
MW362.50 g/mol
LogP1.75
Rot. Bonds3

About 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one

8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97283258) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97283258
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC[C@H]1c1nccs1)C2
InChIInChI=1S/C18H26N4O2S/c1-20-8-4-18(5-9-20)11-15(23)21(13-18)12-16(24)22-7-2-3-14(22)17-19-6-10-25-17/h6,10,14H,2-5,7-9,11-13H2,1H3/t14-/m0/s1
InChIKeyDJHUOGGAGNLVBO-AWEZNQCLSA-N
XLogP1.75
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99972667
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
CID 97283695
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
2-(4-phenylpiperidin-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 97190916
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97283258) is 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC[C@H]1c1nccs1)C2.
What is the InChIKey of 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DJHUOGGAGNLVBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-20-8-4-18(5-9-20)11-15(23)21(13-18)12-16(24)22-7-2-3-14(22)17-19-6-10-25-17/h6,10,14H,2-5,7-9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one?
8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.50 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97283258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).