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

C12H10FN3S2 — CID 19209906

IUPAC2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H10FN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyIRIZKZYNYDPTNU-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.71
Rot. Bonds3

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

2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209906) has the molecular formula C12H10FN3S2 and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209906
Molecular FormulaC12H10FN3S2
Molecular Weight279.37 g/mol
Exact Mass279.03
IUPAC Name2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H10FN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyIRIZKZYNYDPTNU-UHFFFAOYSA-N
XLogP3.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209914
2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209907
6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 3497331
2-(2,2-dimethylpentylsulfanyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 143518756
2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 142974219
[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020654
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209945
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209906) is 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCSc1nn2cc(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IRIZKZYNYDPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 279.37 g/mol, XLogP of 3.71, 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)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).