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

C21H22N2O3S — CID 51229118

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-5-23(16-9-7-6-8-10-16)21(24)19-14(2)22-20(27-19)15-11-12-17(25-3)18(13-15)26-4/h6-13H,5H2,1-4H3
InChIKeyKKJHNBADSIGTEI-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.80
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 51229118) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID51229118
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-5-23(16-9-7-6-8-10-16)21(24)19-14(2)22-20(27-19)15-11-12-17(25-3)18(13-15)26-4/h6-13H,5H2,1-4H3
InChIKeyKKJHNBADSIGTEI-UHFFFAOYSA-N
XLogP4.80
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24655097
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205389
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
2-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 56530794
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55414327
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990695

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 51229118) is 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KKJHNBADSIGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-5-23(16-9-7-6-8-10-16)21(24)19-14(2)22-20(27-19)15-11-12-17(25-3)18(13-15)26-4/h6-13H,5H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51229118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).