5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

C16H23N3OS — CID 104687733

IUPAC5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cn2c(CC3(CC(C)C)CCC(=O)N3)c(C)nc2s1
InChIInChI=1S/C16H23N3OS/c1-10(2)7-16(6-5-14(20)18-16)8-13-12(4)17-15-19(13)9-11(3)21-15/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyYDWFDZUUVRLSPT-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.25
Rot. Bonds4

About 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 104687733) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID104687733
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cn2c(CC3(CC(C)C)CCC(=O)N3)c(C)nc2s1
InChIInChI=1S/C16H23N3OS/c1-10(2)7-16(6-5-14(20)18-16)8-13-12(4)17-15-19(13)9-11(3)21-15/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyYDWFDZUUVRLSPT-UHFFFAOYSA-N
XLogP3.25
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687346
2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104688318
5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
5-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687774
5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one
CID 104687738
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 112804797
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820529
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103761998
5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687653
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43625709

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (CID 104687733) is 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is Cc1cn2c(CC3(CC(C)C)CCC(=O)N3)c(C)nc2s1.
What is the InChIKey of 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is YDWFDZUUVRLSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(2)7-16(6-5-14(20)18-16)8-13-12(4)17-15-19(13)9-11(3)21-15/h9-10H,5-8H2,1-4H3,(H,18,20).
What are the key properties of 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 305.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104687733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).