2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C21H21N5O3S — CID 134030824

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC(C)c3nnc4ccccn34)cs2)cc1OC
InChIInChI=1S/C21H21N5O3S/c1-13(20-25-24-18-6-4-5-9-26(18)20)22-19(27)11-15-12-30-21(23-15)14-7-8-16(28-2)17(10-14)29-3/h4-10,12-13H,11H2,1-3H3,(H,22,27)
InChIKeyOZARZOMQGJQYOU-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 134030824) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID134030824
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC(C)c3nnc4ccccn34)cs2)cc1OC
InChIInChI=1S/C21H21N5O3S/c1-13(20-25-24-18-6-4-5-9-26(18)20)22-19(27)11-15-12-30-21(23-15)14-7-8-16(28-2)17(10-14)29-3/h4-10,12-13H,11H2,1-3H3,(H,22,27)
InChIKeyOZARZOMQGJQYOU-UHFFFAOYSA-N
XLogP3.29
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide 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

2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 75357118
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55360928
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674241
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55444378
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51857954
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71828927
(E)-3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 134030824) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is COc1ccc(-c2nc(CC(=O)NC(C)c3nnc4ccccn34)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is OZARZOMQGJQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-13(20-25-24-18-6-4-5-9-26(18)20)22-19(27)11-15-12-30-21(23-15)14-7-8-16(28-2)17(10-14)29-3/h4-10,12-13H,11H2,1-3H3,(H,22,27).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 423.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 134030824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).