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

C14H14FN3S — CID 106260110

IUPAC6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2cc(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H14FN3S/c1-9(2)7-13-17-18-8-12(16-14(18)19-13)10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3
InChIKeyJJUGLPXAZCYCAJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.80
Rot. Bonds3

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

6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 106260110) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID106260110
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2cc(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H14FN3S/c1-9(2)7-13-17-18-8-12(16-14(18)19-13)10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3
InChIKeyJJUGLPXAZCYCAJ-UHFFFAOYSA-N
XLogP3.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(2-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 151708772
6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260373
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260209
2-methoxyethyl 6-(2-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 154810948
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
6-(2-chlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209453
6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
CID 23608896
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020637
6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539389
2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646431
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 156597738

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 106260110) is 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)Cc1nn2cc(-c3ccccc3F)nc2s1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JJUGLPXAZCYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-9(2)7-13-17-18-8-12(16-14(18)19-13)10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 275.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 106260110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).