1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone

C22H24N2O4S — CID 1285735

IUPAC1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-11-19(13(3)25)20(14(4)26)12(2)24(11)22-23-21(15(5)29-22)16-8-9-17(27-6)18(10-16)28-7/h8-10H,1-7H3
InChIKeyBSNUXVPJXKLTMN-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone

1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 1285735) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID1285735
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-11-19(13(3)25)20(14(4)26)12(2)24(11)22-23-21(15(5)29-22)16-8-9-17(27-6)18(10-16)28-7/h8-10H,1-7H3
InChIKeyBSNUXVPJXKLTMN-UHFFFAOYSA-N
XLogP4.95
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4158470
1-{2-[5-(3,4-dimethoxyphenyl)-3-thien-2-yl-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
CID 16193282
1-{4-Acetyl-1-[4-(4-methoxy-phenyl)-5-methyl-thiazol-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}-ethanone
CID 1285736
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 2318048
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 8918497
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24687080
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24819978
1-[2-[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 2858748
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 1338268
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2470841
1-[2-[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-5-thiazolyl]ethanone;hydrobromide
CID 2858749
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-diethyl-1,2-oxazole-4-carboxamide
CID 46970055

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone (CID 1285735) is 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone is COc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1OC.
What is the InChIKey of 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is BSNUXVPJXKLTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-11-19(13(3)25)20(14(4)26)12(2)24(11)22-23-21(15(5)29-22)16-8-9-17(27-6)18(10-16)28-7/h8-10H,1-7H3.
What are the key properties of 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone?
1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 412.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 1285735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).