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

C20H21N3O3S — CID 110389581

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-8-6-15(11-18(17)26-2)22-19(24)12-16-13-27-20(23-16)9-7-14-5-3-4-10-21-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,22,24)
InChIKeyMAOUFZGDOHMXHX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.52
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389581) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389581
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-8-6-15(11-18(17)26-2)22-19(24)12-16-13-27-20(23-16)9-7-14-5-3-4-10-21-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,22,24)
InChIKeyMAOUFZGDOHMXHX-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]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

N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389576
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528
N-(6-methoxynaphthalen-2-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 166197937
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389581) is N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MAOUFZGDOHMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-8-6-15(11-18(17)26-2)22-19(24)12-16-13-27-20(23-16)9-7-14-5-3-4-10-21-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).