2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C21H22N2O4S — CID 2102663

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13-20(15-6-8-16(25-2)9-7-15)23-21(28-13)22-19(24)12-14-5-10-17(26-3)18(11-14)27-4/h5-11H,12H2,1-4H3,(H,22,23,24)
InChIKeyRKHWGXDCXVUJPG-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.33
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 2102663) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID2102663
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13-20(15-6-8-16(25-2)9-7-15)23-21(28-13)22-19(24)12-14-5-10-17(26-3)18(11-14)27-4/h5-11H,12H2,1-4H3,(H,22,23,24)
InChIKeyRKHWGXDCXVUJPG-UHFFFAOYSA-N
XLogP4.33
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
2-(4-fluorobenzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
A1AR antagonist 3
CID 129834603
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiazoleacetic acid
CID 6494197
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 2102663) is 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is RKHWGXDCXVUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-13-20(15-6-8-16(25-2)9-7-15)23-21(28-13)22-19(24)12-14-5-10-17(26-3)18(11-14)27-4/h5-11H,12H2,1-4H3,(H,22,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2102663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).