N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C22H26N4O3S — CID 112804758

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)CC1=O
InChIInChI=1S/C22H26N4O3S/c1-5-29-19-9-7-6-8-17(19)25-12-16(10-20(25)27)21(28)24(4)13-18-15(3)23-22-26(18)11-14(2)30-22/h6-9,11,16H,5,10,12-13H2,1-4H3
InChIKeyHTVBVODWNDHVQJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.42
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 112804758) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID112804758
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)CC1=O
InChIInChI=1S/C22H26N4O3S/c1-5-29-19-9-7-6-8-17(19)25-12-16(10-20(25)27)21(28)24(4)13-18-15(3)23-22-26(18)11-14(2)30-22/h6-9,11,16H,5,10,12-13H2,1-4H3
InChIKeyHTVBVODWNDHVQJ-UHFFFAOYSA-N
XLogP3.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9392514
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266491
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(2R)-1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371077
N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60535937
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 112804758) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)CC1=O.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HTVBVODWNDHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-5-29-19-9-7-6-8-17(19)25-12-16(10-20(25)27)21(28)24(4)13-18-15(3)23-22-26(18)11-14(2)30-22/h6-9,11,16H,5,10,12-13H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112804758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).