2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide

C21H22N2O4S — CID 166218743

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)cc1
InChIInChI=1S/C21H22N2O4S/c1-5-27-16-9-7-15(8-10-16)23(2)21(24)19-13-22-20(28-19)14-6-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3
InChIKeyCTPYSECBEJMNFJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.50
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166218743) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID166218743
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)cc1
InChIInChI=1S/C21H22N2O4S/c1-5-27-16-9-7-15(8-10-16)23(2)21(24)19-13-22-20(28-19)14-6-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3
InChIKeyCTPYSECBEJMNFJ-UHFFFAOYSA-N
XLogP4.50
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55605894
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 16867310
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2-(3,4-dimethoxyphenyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24503094
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 166218743) is 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(N(C)C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CTPYSECBEJMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-5-27-16-9-7-15(8-10-16)23(2)21(24)19-13-22-20(28-19)14-6-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166218743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).