2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)

C134H121N23O2S7 — CID 157283898

About 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)

2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole) (PubChem CID 157283898) has the molecular formula C134H121N23O2S7 and a molecular weight of 2310.07 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole).

Molecular Properties

• Compound Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)
• PubChem CID: 157283898
• Molecular Formula: C134H121N23O2S7
• Molecular Weight: 2310.07 g/mol
• Exact Mass: 2307.81
• IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)
• SMILES: Cc1c(-c2csc(CCc3ccc4c(c3)OCO4)n2)nc2ccccn12.Cc1ccc(CCc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(CCc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ncccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ncccn4c3C)cs2)cc1
• InChI: InChI=1S/C20H17N3O2S.2C20H19N3S.2C19H17N3S.2C18H16N4S/c1-13-20(22-18-4-2-3-9-23(13)18)15-11-26-19(21-15)8-6-14-5-7-16-17(10-14)25-12-24-16;2*1-14-6-8-16(9-7-14)10-11-19-21-17(13-24-19)20-15(2)23-12-4-3-5-18(23)22-20;2*1-13-6-8-15(9-7-13)11-18-20-16(12-23-18)19-14(2)22-10-4-3-5-17(22)21-19;2*1-12-4-6-14(7-5-12)10-16-20-15(11-23-16)17-13(2)22-9-3-8-19-18(22)21-17/h2-5,7,9-11H,6,8,12H2,1H3;2*3-9,12-13H,10-11H2,1-2H3;2*3-10,12H,11H2,1-2H3;2*3-9,11H,10H2,1-2H3
• InChIKey: AZZPMRMEMIPKAK-UHFFFAOYSA-N
• XLogP: 31.45
• TPSA: 255.57 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.07
LogP ≤ 5	31.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)?

The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole) (CID 157283898) is 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole).

What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)?

The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole) is Cc1c(-c2csc(CCc3ccc4c(c3)OCO4)n2)nc2ccccn12.Cc1ccc(CCc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(CCc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ccccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ncccn4c3C)cs2)cc1.Cc1ccc(Cc2nc(-c3nc4ncccn4c3C)cs2)cc1.

What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)?

The InChIKey is AZZPMRMEMIPKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S.2C20H19N3S.2C19H17N3S.2C18H16N4S/c1-13-20(22-18-4-2-3-9-23(13)18)15-11-26-19(21-15)8-6-14-5-7-16-17(10-14)25-12-24-16;2*1-14-6-8-16(9-7-14)10-11-19-21-17(13-24-19)20-15(2)23-12-4-3-5-18(23)22-20;2*1-13-6-8-15(9-7-13)11-18-20-16(12-23-18)19-14(2)22-10-4-3-5-17(22)21-19;2*1-12-4-6-14(7-5-12)10-16-20-15(11-23-16)17-13(2)22-9-3-8-19-18(22)21-17/h2-5,7,9-11H,6,8,12H2,1H3;2*3-9,12-13H,10-11H2,1-2H3;2*3-10,12H,11H2,1-2H3;2*3-9,11H,10H2,1-2H3.

What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)?

2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole) has a molecular weight of 2310.07 g/mol, XLogP of 31.45, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole) is sourced from PubChem (CID 157283898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).