N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C24H19N5O5S — CID 108729232

IUPACN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)COc4ccc5c(C)cc(=O)oc5c4)nn23)cc1
InChIInChI=1S/C24H19N5O5S/c1-13-9-22(32)34-20-10-17(7-8-18(13)20)33-11-21(31)26-23-27-24-29(28-23)19(12-35-24)15-3-5-16(6-4-15)25-14(2)30/h3-10,12H,11H2,1-2H3,(H,25,30)(H,26,28,31)
InChIKeyPWCWLCGKXMHSQZ-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.85
Rot. Bonds6

About N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 108729232) has the molecular formula C24H19N5O5S and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID108729232
Molecular FormulaC24H19N5O5S
Molecular Weight489.51 g/mol
Exact Mass489.11
IUPAC NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)COc4ccc5c(C)cc(=O)oc5c4)nn23)cc1
InChIInChI=1S/C24H19N5O5S/c1-13-9-22(32)34-20-10-17(7-8-18(13)20)33-11-21(31)26-23-27-24-29(28-23)19(12-35-24)15-3-5-16(6-4-15)25-14(2)30/h3-10,12H,11H2,1-2H3,(H,25,30)(H,26,28,31)
InChIKeyPWCWLCGKXMHSQZ-UHFFFAOYSA-N
XLogP3.85
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108729261
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108753021
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264
2-(4-chloro-3,5-dimethylphenoxy)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752902
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108753035
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
2-(3,5-dimethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728379
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108752016
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 108729232) is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CC(=O)Nc1ccc(-c2csc3nc(NC(=O)COc4ccc5c(C)cc(=O)oc5c4)nn23)cc1.
What is the InChIKey of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PWCWLCGKXMHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5S/c1-13-9-22(32)34-20-10-17(7-8-18(13)20)33-11-21(31)26-23-27-24-29(28-23)19(12-35-24)15-3-5-16(6-4-15)25-14(2)30/h3-10,12H,11H2,1-2H3,(H,25,30)(H,26,28,31).
What are the key properties of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 489.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 108729232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).