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

C11H8FN3S — CID 107646686

IUPAC6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3cccc(F)c3)nc2s1
InChIInChI=1S/C11H8FN3S/c1-7-14-15-6-10(13-11(15)16-7)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyDYRJXZZOILUTMV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.91
Rot. Bonds1

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

6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646686) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646686
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3cccc(F)c3)nc2s1
InChIInChI=1S/C11H8FN3S/c1-7-14-15-6-10(13-11(15)16-7)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyDYRJXZZOILUTMV-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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Related Compounds

6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646691
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220880
4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221061
2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 157083559
2-bromo-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 45158654
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374
2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 4173731
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646529
4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
CID 118068407

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646686) is 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3cccc(F)c3)nc2s1.
What is the InChIKey of 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DYRJXZZOILUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c1-7-14-15-6-10(13-11(15)16-7)8-3-2-4-9(12)5-8/h2-6H,1H3.
What are the key properties of 6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(3-fluorophenyl)-2-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-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).