1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C23H23N5O2S — CID 146892193

IUPAC1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)cc3c2)s1
InChIInChI=1S/C23H23N5O2S/c1-14-26-27-23(31-14)16-3-4-17-12-24-19(10-18(17)9-16)11-21(29)20-13-30-22(25-20)15-5-7-28(2)8-6-15/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3
InChIKeyTUEWOQSOEVNRDY-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.28
Rot. Bonds5

About 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 146892193) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
PubChem CID146892193
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)cc3c2)s1
InChIInChI=1S/C23H23N5O2S/c1-14-26-27-23(31-14)16-3-4-17-12-24-19(10-18(17)9-16)11-21(29)20-13-30-22(25-20)15-5-7-28(2)8-6-15/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3
InChIKeyTUEWOQSOEVNRDY-UHFFFAOYSA-N
XLogP4.28
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 162118784
2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 147457902
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159718357
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 159655174
2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone
CID 161236509
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148656617
1-[5-(1-methylpiperidin-4-yl)furan-3-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 160595075
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147119054
1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 159928967
(3R,4R)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138559085
4-amino-3,3-difluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138580178
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 148586552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 146892193) is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)cc3c2)s1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
The InChIKey is TUEWOQSOEVNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-26-27-23(31-14)16-3-4-17-12-24-19(10-18(17)9-16)11-21(29)20-13-30-22(25-20)15-5-7-28(2)8-6-15/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 433.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 146892193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).