6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole

C11H8FN3S — CID 19209358

IUPAC6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2ccc(F)cc2)nc2scnn12
InChIInChI=1S/C11H8FN3S/c1-7-10(8-2-4-9(12)5-3-8)14-11-15(7)13-6-16-11/h2-6H,1H3
InChIKeyQIYALMNJBKQAMQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.91
Rot. Bonds1

About 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209358) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209358
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2ccc(F)cc2)nc2scnn12
InChIInChI=1S/C11H8FN3S/c1-7-10(8-2-4-9(12)5-3-8)14-11-15(7)13-6-16-11/h2-6H,1H3
InChIKeyQIYALMNJBKQAMQ-UHFFFAOYSA-N
XLogP2.91
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209358) is 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1c(-c2ccc(F)cc2)nc2scnn12.
What is the InChIKey of 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QIYALMNJBKQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c1-7-10(8-2-4-9(12)5-3-8)14-11-15(7)13-6-16-11/h2-6H,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 233.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).