1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C22H28N6O2S — CID 108809934

IUPAC1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2csc3nc(NC(=O)C4CC(=O)N(CCCN(C)C)C4)nn23)c(C)c1
InChIInChI=1S/C22H28N6O2S/c1-14-6-7-17(15(2)10-14)18-13-31-22-24-21(25-28(18)22)23-20(30)16-11-19(29)27(12-16)9-5-8-26(3)4/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3,(H,23,25,30)
InChIKeyCCSXFUMCLVTJPG-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.81
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108809934) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108809934
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2csc3nc(NC(=O)C4CC(=O)N(CCCN(C)C)C4)nn23)c(C)c1
InChIInChI=1S/C22H28N6O2S/c1-14-6-7-17(15(2)10-14)18-13-31-22-24-21(25-28(18)22)23-20(30)16-11-19(29)27(12-16)9-5-8-26(3)4/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3,(H,23,25,30)
InChIKeyCCSXFUMCLVTJPG-UHFFFAOYSA-N
XLogP2.81
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,1-diethylurea
CID 108728180
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
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-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108728228
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
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-(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
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108787329
N-(5-amino-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120568684

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 108809934) is 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2csc3nc(NC(=O)C4CC(=O)N(CCCN(C)C)C4)nn23)c(C)c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CCSXFUMCLVTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-14-6-7-17(15(2)10-14)18-13-31-22-24-21(25-28(18)22)23-20(30)16-11-19(29)27(12-16)9-5-8-26(3)4/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3,(H,23,25,30).
What are the key properties of 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108809934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).