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

C13H12FN3S2 — CID 19209907

IUPAC2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C13H12FN3S2/c1-3-18-13-16-17-8(2)11(15-12(17)19-13)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyCWSBFUSLYLUKAK-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.02
Rot. Bonds3

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

2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209907) has the molecular formula C13H12FN3S2 and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209907
Molecular FormulaC13H12FN3S2
Molecular Weight293.39 g/mol
Exact Mass293.05
IUPAC Name2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C13H12FN3S2/c1-3-18-13-16-17-8(2)11(15-12(17)19-13)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyCWSBFUSLYLUKAK-UHFFFAOYSA-N
XLogP4.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209907) is 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is CCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CWSBFUSLYLUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S2/c1-3-18-13-16-17-8(2)11(15-12(17)19-13)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 293.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).