N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide

C24H24N6O4S — CID 44827461

IUPACN'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccc(NC(C)=O)cc4)c(C)n3n2)cc1
InChIInChI=1S/C24H24N6O4S/c1-14-20(35-24-28-21(29-30(14)24)16-4-10-19(34-3)11-5-16)12-13-25-22(32)23(33)27-18-8-6-17(7-9-18)26-15(2)31/h4-11H,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,33)
InChIKeyKEBMRISMYYVDML-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.03
Rot. Bonds7

About N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide

N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide (PubChem CID 44827461) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
PubChem CID44827461
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccc(NC(C)=O)cc4)c(C)n3n2)cc1
InChIInChI=1S/C24H24N6O4S/c1-14-20(35-24-28-21(29-30(14)24)16-4-10-19(34-3)11-5-16)12-13-25-22(32)23(33)27-18-8-6-17(7-9-18)26-15(2)31/h4-11H,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,33)
InChIKeyKEBMRISMYYVDML-UHFFFAOYSA-N
XLogP3.03
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
CID 7287073
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
2-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]acetamide
CID 7287107
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985
N'-(4-chlorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564694
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 22584840
N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 27460897
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide (CID 44827461) is N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide is COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccc(NC(C)=O)cc4)c(C)n3n2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide?
The InChIKey is KEBMRISMYYVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-14-20(35-24-28-21(29-30(14)24)16-4-10-19(34-3)11-5-16)12-13-25-22(32)23(33)27-18-8-6-17(7-9-18)26-15(2)31/h4-11H,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,33).
What are the key properties of N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide?
N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide has a molecular weight of 492.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 44827461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).