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

C25H30N2O3S — CID 67232298

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCc1ccc(OC)c(OC)c1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
InChIInChI=1S/C25H30N2O3S/c1-7-27(13-12-19-9-11-21(29-5)22(15-19)30-6)25(28)23-24(31-18(4)26-23)20-10-8-16(2)17(3)14-20/h8-11,14-15H,7,12-13H2,1-6H3
InChIKeyFBJFKARUPIZCAY-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.46
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67232298) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67232298
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCc1ccc(OC)c(OC)c1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
InChIInChI=1S/C25H30N2O3S/c1-7-27(13-12-19-9-11-21(29-5)22(15-19)30-6)25(28)23-24(31-18(4)26-23)20-10-8-16(2)17(3)14-20/h8-11,14-15H,7,12-13H2,1-6H3
InChIKeyFBJFKARUPIZCAY-UHFFFAOYSA-N
XLogP5.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67394681
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-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110676447
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-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 45498891

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide (CID 67232298) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide is CCN(CCc1ccc(OC)c(OC)c1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FBJFKARUPIZCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-7-27(13-12-19-9-11-21(29-5)22(15-19)30-6)25(28)23-24(31-18(4)26-23)20-10-8-16(2)17(3)14-20/h8-11,14-15H,7,12-13H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67232298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).