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

C23H16F2N4O3S2 — CID 171855251

IUPAC6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(F)c(OCc4ccc(F)cc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H16F2N4O3S2/c1-34(30,31)22-26-9-8-18(27-22)21-20(28-23-29(21)10-11-33-23)15-4-7-17(25)19(12-15)32-13-14-2-5-16(24)6-3-14/h2-12H,13H2,1H3
InChIKeyMNIYSUYPHORFTN-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.78
Rot. Bonds6

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

6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 171855251) has the molecular formula C23H16F2N4O3S2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID171855251
Molecular FormulaC23H16F2N4O3S2
Molecular Weight498.54 g/mol
Exact Mass498.06
IUPAC Name6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(F)c(OCc4ccc(F)cc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H16F2N4O3S2/c1-34(30,31)22-26-9-8-18(27-22)21-20(28-23-29(21)10-11-33-23)15-4-7-17(25)19(12-15)32-13-14-2-5-16(24)6-3-14/h2-12H,13H2,1H3
InChIKeyMNIYSUYPHORFTN-UHFFFAOYSA-N
XLogP4.78
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (CID 171855251) is 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)c(OCc4ccc(F)cc4)c3)nc3sccn23)n1.
What is the InChIKey of 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is MNIYSUYPHORFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O3S2/c1-34(30,31)22-26-9-8-18(27-22)21-20(28-23-29(21)10-11-33-23)15-4-7-17(25)19(12-15)32-13-14-2-5-16(24)6-3-14/h2-12H,13H2,1H3.
What are the key properties of 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 498.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 171855251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).