1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone

C17H12N4O2S — CID 133462572

IUPAC1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C17H12N4O2S/c1-11(22)12-4-6-14(7-5-12)23-17-20-21-10-15(19-16(21)24-17)13-3-2-8-18-9-13/h2-10H,1H3
InChIKeyLZIXYVVANKWRBV-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.85
Rot. Bonds4

About 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone

1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone (PubChem CID 133462572) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
PubChem CID133462572
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C17H12N4O2S/c1-11(22)12-4-6-14(7-5-12)23-17-20-21-10-15(19-16(21)24-17)13-3-2-8-18-9-13/h2-10H,1H3
InChIKeyLZIXYVVANKWRBV-UHFFFAOYSA-N
XLogP3.85
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133493825
2-(4-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462587
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
CID 133462861
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
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
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646
1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 20729346
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654
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 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone (CID 133462572) is 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The InChIKey is LZIXYVVANKWRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-11(22)12-4-6-14(7-5-12)23-17-20-21-10-15(19-16(21)24-17)13-3-2-8-18-9-13/h2-10H,1H3.
What are the key properties of 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone has a molecular weight of 336.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone is sourced from PubChem (CID 133462572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).