2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C15H9ClN4OS — CID 133462585

IUPAC2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C15H9ClN4OS/c16-11-3-5-12(6-4-11)21-15-19-20-9-13(18-14(20)22-15)10-2-1-7-17-8-10/h1-9H
InChIKeyKQUISEVSQIXDNB-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133462585) has the molecular formula C15H9ClN4OS and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133462585
Molecular FormulaC15H9ClN4OS
Molecular Weight328.78 g/mol
Exact Mass328.02
IUPAC Name2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C15H9ClN4OS/c16-11-3-5-12(6-4-11)21-15-19-20-9-13(18-14(20)22-15)10-2-1-7-17-8-10/h1-9H
InChIKeyKQUISEVSQIXDNB-UHFFFAOYSA-N
XLogP4.30
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-nitrophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462587
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133493825
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
CID 133462861
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494782
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
N-(2-ethoxyethyl)-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463120

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 133462585) is 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KQUISEVSQIXDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4OS/c16-11-3-5-12(6-4-11)21-15-19-20-9-13(18-14(20)22-15)10-2-1-7-17-8-10/h1-9H.
What are the key properties of 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 328.78 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133462585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).