6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole

C23H17FN4O3S2 — CID 155811287

IUPAC6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccc(F)cc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H17FN4O3S2/c1-33(29,30)22-25-10-9-19(26-22)21-20(27-23-28(21)11-12-32-23)16-3-2-4-18(13-16)31-14-15-5-7-17(24)8-6-15/h2-13H,14H2,1H3
InChIKeyAWCIKMLGHHTGHO-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.64
Rot. Bonds6

About 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole

6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155811287) has the molecular formula C23H17FN4O3S2 and a molecular weight of 480.55 g/mol. Its IUPAC name is 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID155811287
Molecular FormulaC23H17FN4O3S2
Molecular Weight480.55 g/mol
Exact Mass480.07
IUPAC Name6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccc(F)cc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H17FN4O3S2/c1-33(29,30)22-25-10-9-19(26-22)21-20(27-23-28(21)11-12-32-23)16-3-2-4-18(13-16)31-14-15-5-7-17(24)8-6-15/h2-13H,14H2,1H3
InChIKeyAWCIKMLGHHTGHO-UHFFFAOYSA-N
XLogP4.64
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (CID 155811287) is 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is CS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccc(F)cc4)c3)nc3sccn23)n1.
What is the InChIKey of 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is AWCIKMLGHHTGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S2/c1-33(29,30)22-25-10-9-19(26-22)21-20(27-23-28(21)11-12-32-23)16-3-2-4-18(13-16)31-14-15-5-7-17(24)8-6-15/h2-13H,14H2,1H3.
What are the key properties of 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 480.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155811287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).