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

C21H20N6O2S — CID 147457902

IUPAC2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESCc1nnc(-c2ccc3nnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)s1
InChIInChI=1S/C21H20N6O2S/c1-12-24-27-21(30-12)14-2-3-17-15(8-14)9-16(25-26-17)10-19(28)18-11-29-20(23-18)13-4-6-22-7-5-13/h2-3,8-9,11,13,22H,4-7,10H2,1H3
InChIKeyDZIUKLDHNJJLDJ-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.34
Rot. Bonds5

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

2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 147457902) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
PubChem CID147457902
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESCc1nnc(-c2ccc3nnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)s1
InChIInChI=1S/C21H20N6O2S/c1-12-24-27-21(30-12)14-2-3-17-15(8-14)9-16(25-26-17)10-19(28)18-11-29-20(23-18)13-4-6-22-7-5-13/h2-3,8-9,11,13,22H,4-7,10H2,1H3
InChIKeyDZIUKLDHNJJLDJ-UHFFFAOYSA-N
XLogP3.34
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 159655174
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082176
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590861
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
(1R,5S)-3-amino-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138590099
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 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) is 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is Cc1nnc(-c2ccc3nnc(CC(=O)c4coc(C5CCNCC5)n4)cc3c2)s1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is DZIUKLDHNJJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-12-24-27-21(30-12)14-2-3-17-15(8-14)9-16(25-26-17)10-19(28)18-11-29-20(23-18)13-4-6-22-7-5-13/h2-3,8-9,11,13,22H,4-7,10H2,1H3.
What are the key properties of 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 420.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 147457902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).