N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

C25H29N3O4S — CID 67394681

IUPACN-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC(N)=O)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C25H29N3O4S/c1-15-6-8-19(12-16(15)2)24-23(27-17(3)33-24)25(30)28(14-22(26)29)11-10-18-7-9-20(31-4)21(13-18)32-5/h6-9,12-13H,10-11,14H2,1-5H3,(H2,26,29)
InChIKeyBOHQUFMASWIJGA-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.92
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67394681) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67394681
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC(N)=O)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C25H29N3O4S/c1-15-6-8-19(12-16(15)2)24-23(27-17(3)33-24)25(30)28(14-22(26)29)11-10-18-7-9-20(31-4)21(13-18)32-5/h6-9,12-13H,10-11,14H2,1-5H3,(H2,26,29)
InChIKeyBOHQUFMASWIJGA-UHFFFAOYSA-N
XLogP3.92
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide
CID 67232298
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394715
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 140567601
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-ethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395293
N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67394712
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67231765
N-(cyclopropylmethyl)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine;5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 162621441
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394766
N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 68723615
N-[1-(1,3-benzoxazol-2-ylamino)propan-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 10311971
N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42776554

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 67394681) is N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(CCN(CC(N)=O)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BOHQUFMASWIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-15-6-8-19(12-16(15)2)24-23(27-17(3)33-24)25(30)28(14-22(26)29)11-10-18-7-9-20(31-4)21(13-18)32-5/h6-9,12-13H,10-11,14H2,1-5H3,(H2,26,29).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67394681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).