1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C26H27N5O3S — CID 108752633

IUPAC1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2nc3scc(-c4ccccc4OC)n3n2)CC1=O
InChIInChI=1S/C26H27N5O3S/c1-4-16-9-8-10-17(5-2)23(16)30-14-18(13-22(30)32)24(33)27-25-28-26-31(29-25)20(15-35-26)19-11-6-7-12-21(19)34-3/h6-12,15,18H,4-5,13-14H2,1-3H3,(H,27,29,33)
InChIKeyYXJLBMGQXCVWTG-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.58
Rot. Bonds7

About 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108752633) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108752633
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)Nc2nc3scc(-c4ccccc4OC)n3n2)CC1=O
InChIInChI=1S/C26H27N5O3S/c1-4-16-9-8-10-17(5-2)23(16)30-14-18(13-22(30)32)24(33)27-25-28-26-31(29-25)20(15-35-26)19-11-6-7-12-21(19)34-3/h6-12,15,18H,4-5,13-14H2,1-3H3,(H,27,29,33)
InChIKeyYXJLBMGQXCVWTG-UHFFFAOYSA-N
XLogP4.58
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186883
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728950
1-(4-methylphenyl)-5-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)pyrrolidine-3-carboxamide
CID 108727895
1-(4-methylphenyl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108728056
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728492
ethyl 4-[4-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108752272
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108752890
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 108752633) is 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1CC(C(=O)Nc2nc3scc(-c4ccccc4OC)n3n2)CC1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YXJLBMGQXCVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-4-16-9-8-10-17(5-2)23(16)30-14-18(13-22(30)32)24(33)27-25-28-26-31(29-25)20(15-35-26)19-11-6-7-12-21(19)34-3/h6-12,15,18H,4-5,13-14H2,1-3H3,(H,27,29,33).
What are the key properties of 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108752633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).