3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one

C15H15N5OS — CID 133497389

IUPAC3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
SMILESCC1CN(c2nn3cc(-c4cccnc4)nc3s2)CCC1=O
InChIInChI=1S/C15H15N5OS/c1-10-8-19(6-4-13(10)21)15-18-20-9-12(17-14(20)22-15)11-3-2-5-16-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyXVBUEJUNZLOMLI-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one

3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one (PubChem CID 133497389) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
PubChem CID133497389
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
SMILESCC1CN(c2nn3cc(-c4cccnc4)nc3s2)CCC1=O
InChIInChI=1S/C15H15N5OS/c1-10-8-19(6-4-13(10)21)15-18-20-9-12(17-14(20)22-15)11-3-2-5-16-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyXVBUEJUNZLOMLI-UHFFFAOYSA-N
XLogP2.27
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646
2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133452475
furan-2-yl-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133462677
3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 133497431
1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 56815477
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462759
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 133496088
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one (CID 133497389) is 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one is CC1CN(c2nn3cc(-c4cccnc4)nc3s2)CCC1=O.
What is the InChIKey of 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one?
The InChIKey is XVBUEJUNZLOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-8-19(6-4-13(10)21)15-18-20-9-12(17-14(20)22-15)11-3-2-5-16-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one?
3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one has a molecular weight of 313.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one is sourced from PubChem (CID 133497389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).