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

C13H12FN3S — CID 107646431

IUPAC2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C)c(-c3ccccc3F)nc2s1
InChIInChI=1S/C13H12FN3S/c1-3-11-16-17-8(2)12(15-13(17)18-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyPQHBBRKVXXZZKB-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.47
Rot. Bonds2

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

2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646431) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646431
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2c(C)c(-c3ccccc3F)nc2s1
InChIInChI=1S/C13H12FN3S/c1-3-11-16-17-8(2)12(15-13(17)18-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyPQHBBRKVXXZZKB-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646431) is 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2c(C)c(-c3ccccc3F)nc2s1.
What is the InChIKey of 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PQHBBRKVXXZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-3-11-16-17-8(2)12(15-13(17)18-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 261.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).