1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone

C21H24N4OS — CID 118402544

IUPAC1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3c(C)sc4nc(C)cc(N)c34)c2)CC1
InChIInChI=1S/C21H24N4OS/c1-13-11-18(22)20-19(14(2)27-21(20)23-13)16-5-4-6-17(12-16)25-9-7-24(8-10-25)15(3)26/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23)
InChIKeyAROOCJZDFSTVAA-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.83
Rot. Bonds2

About 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone

1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 118402544) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID118402544
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3c(C)sc4nc(C)cc(N)c34)c2)CC1
InChIInChI=1S/C21H24N4OS/c1-13-11-18(22)20-19(14(2)27-21(20)23-13)16-5-4-6-17(12-16)25-9-7-24(8-10-25)15(3)26/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23)
InChIKeyAROOCJZDFSTVAA-UHFFFAOYSA-N
XLogP3.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
CID 143649558
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
[5-(4-acetylpiperazin-1-yl)-2-aminophenyl]carbamic acid
CID 90426627
[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25354788
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 46549668
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22512644

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone (CID 118402544) is 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3c(C)sc4nc(C)cc(N)c34)c2)CC1.
What is the InChIKey of 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is AROOCJZDFSTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-13-11-18(22)20-19(14(2)27-21(20)23-13)16-5-4-6-17(12-16)25-9-7-24(8-10-25)15(3)26/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23).
What are the key properties of 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 380.52 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118402544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).