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

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

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Related Compounds

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole
CID 141277938
ethyl 2-[6-(cyclohexen-1-yl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 66855656
N'-[[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]-N'-methylethane-1,2-diamine
CID 118258097
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 58094803
CID 88984131
CID 88984131
2-(2-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
CID 71699387
6-chloro-2-methyl-3-phenylimidazo[1,2-a]pyridine
CID 71742253
6-fluoro-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835263
4-(1,5-dimethylpyrazol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;4-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 161012940
1-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]pyrrolidin-3-amine
CID 76665796
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669

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).