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

C17H11ClN4O2S — CID 133493825

IUPAC1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)c(Cl)c1
InChIInChI=1S/C17H11ClN4O2S/c1-10(23)11-4-5-15(13(18)7-11)24-17-21-22-9-14(20-16(22)25-17)12-3-2-6-19-8-12/h2-9H,1H3
InChIKeyLRSSDJZTBYSPSE-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.50
Rot. Bonds4

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

1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone (PubChem CID 133493825) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
PubChem CID133493825
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)c(Cl)c1
InChIInChI=1S/C17H11ClN4O2S/c1-10(23)11-4-5-15(13(18)7-11)24-17-21-22-9-14(20-16(22)25-17)12-3-2-6-19-8-12/h2-9H,1H3
InChIKeyLRSSDJZTBYSPSE-UHFFFAOYSA-N
XLogP4.50
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
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
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 67221150
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
2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 47069032
2-(4-chloro-3-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 133463081

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone (CID 133493825) is 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
The InChIKey is LRSSDJZTBYSPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c1-10(23)11-4-5-15(13(18)7-11)24-17-21-22-9-14(20-16(22)25-17)12-3-2-6-19-8-12/h2-9H,1H3.
What are the key properties of 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone?
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone has a molecular weight of 370.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone is sourced from PubChem (CID 133493825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).