2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole

C27H20FN5OS — CID 118258069

IUPAC2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(C4=NCC=N4)s3)n2c1
InChIInChI=1S/C27H20FN5OS/c1-16-24(27-32-23(17-7-4-3-5-8-17)25(35-27)26-29-13-14-30-26)33-15-18(11-12-21(33)31-16)22-19(28)9-6-10-20(22)34-2/h3-13,15H,14H2,1-2H3
InChIKeyRTQDHPDLVNTZSL-UHFFFAOYSA-N
MW481.56 g/mol
LogP6.08
Rot. Bonds5

About 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole

2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole (PubChem CID 118258069) has the molecular formula C27H20FN5OS and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole
PubChem CID118258069
Molecular FormulaC27H20FN5OS
Molecular Weight481.56 g/mol
Exact Mass481.14
IUPAC Name2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(C4=NCC=N4)s3)n2c1
InChIInChI=1S/C27H20FN5OS/c1-16-24(27-32-23(17-7-4-3-5-8-17)25(35-27)26-29-13-14-30-26)33-15-18(11-12-21(33)31-16)22-19(28)9-6-10-20(22)34-2/h3-13,15H,14H2,1-2H3
InChIKeyRTQDHPDLVNTZSL-UHFFFAOYSA-N
XLogP6.08
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole (CID 118258069) is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole is COc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(C4=NCC=N4)s3)n2c1.
What is the InChIKey of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The InChIKey is RTQDHPDLVNTZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5OS/c1-16-24(27-32-23(17-7-4-3-5-8-17)25(35-27)26-29-13-14-30-26)33-15-18(11-12-21(33)31-16)22-19(28)9-6-10-20(22)34-2/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole has a molecular weight of 481.56 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-5-(4H-imidazol-2-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 118258069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).