3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide

C23H24N4OS — CID 7287059

IUPAC3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)c(C)c4)c(C)n3n2)cc1
InChIInChI=1S/C23H24N4OS/c1-14-5-8-18(9-6-14)21-25-23-27(26-21)17(4)20(29-23)11-12-24-22(28)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,24,28)
InChIKeyJQEMBPOXPJTZMF-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.66
Rot. Bonds5

About 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide

3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (PubChem CID 7287059) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
PubChem CID7287059
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)c(C)c4)c(C)n3n2)cc1
InChIInChI=1S/C23H24N4OS/c1-14-5-8-18(9-6-14)21-25-23-27(26-21)17(4)20(29-23)11-12-24-22(28)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,24,28)
InChIKeyJQEMBPOXPJTZMF-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(tert-butyl)-N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzamide
CID 7216743
2-Chloro-N-(2-(2-(m-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzamide
CID 7243416
N-{2-[2-(4-fluorophenyl)-6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl}-2-phenylacetamide
CID 7287108
4-methyl-N-{2-[4-methyl-5-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
CID 9542930
2-methyl-N-{2-[4-methyl-5-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
CID 9542934
N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2-(trifluoromethyl)benzamide
CID 16028719
3-bromo-N-{2-[2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}benzamide
CID 16034579
N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-benzamide
CID 49864319
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
2-(4-fluorophenyl)-N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)acetamide
CID 7216732
N-{2-[2-(4-fluorophenyl)-6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl}-2,2-dimethylpropanamide
CID 7287109
N1-(2,5-dimethylphenyl)-N2-(2-(2-(o-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)oxalamide
CID 16028762

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (CID 7287059) is 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is Cc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)c(C)c4)c(C)n3n2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The InChIKey is JQEMBPOXPJTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-14-5-8-18(9-6-14)21-25-23-27(26-21)17(4)20(29-23)11-12-24-22(28)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,24,28).
What are the key properties of 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7287059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).