6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole

C13H11FN2S — CID 113225126

IUPAC6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc(F)cc3)c(C)n12
InChIInChI=1S/C13H11FN2S/c1-8-7-17-13-15-12(9(2)16(8)13)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyPKKBVIZDTWPQBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.82
Rot. Bonds1

About 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole

6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole (PubChem CID 113225126) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
PubChem CID113225126
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc(F)cc3)c(C)n12
InChIInChI=1S/C13H11FN2S/c1-8-7-17-13-15-12(9(2)16(8)13)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyPKKBVIZDTWPQBV-UHFFFAOYSA-N
XLogP3.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole (CID 113225126) is 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole is Cc1csc2nc(-c3ccc(F)cc3)c(C)n12.
What is the InChIKey of 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PKKBVIZDTWPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-8-7-17-13-15-12(9(2)16(8)13)10-3-5-11(14)6-4-10/h3-7H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole has a molecular weight of 246.31 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113225126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).