2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

C25H29N3O4S — CID 55328635

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C25H29N3O4S/c1-5-12-28(15-23(29)27-20-9-7-6-8-17(20)2)24(30)14-19-16-33-25(26-19)18-10-11-21(31-3)22(13-18)32-4/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,27,29)
InChIKeyGHGABUKOWZLBTB-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.56
Rot. Bonds10

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (PubChem CID 55328635) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
PubChem CID55328635
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C25H29N3O4S/c1-5-12-28(15-23(29)27-20-9-7-6-8-17(20)2)24(30)14-19-16-33-25(26-19)18-10-11-21(31-3)22(13-18)32-4/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,27,29)
InChIKeyGHGABUKOWZLBTB-UHFFFAOYSA-N
XLogP4.56
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984591
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 42373991
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 46442809
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25368819

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (CID 55328635) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is GHGABUKOWZLBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-5-12-28(15-23(29)27-20-9-7-6-8-17(20)2)24(30)14-19-16-33-25(26-19)18-10-11-21(31-3)22(13-18)32-4/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,27,29).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 467.59 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 55328635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).