2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C28H25FN8O2S2 — CID 166933666

About 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 166933666) has the molecular formula C28H25FN8O2S2 and a molecular weight of 588.69 g/mol. Its IUPAC name is 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 166933666
• Molecular Formula: C28H25FN8O2S2
• Molecular Weight: 588.69 g/mol
• Exact Mass: 588.15
• IUPAC Name: 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(-c3cnc(N4CCCS4(=O)=O)cn3)cn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C28H25FN8O2S2/c1-3-21-27(35(4-2)28-34-26(23(14-30)40-28)18-6-9-20(29)10-7-18)36-17-19(8-11-24(36)33-21)22-15-32-25(16-31-22)37-12-5-13-41(37,38)39/h6-11,15-17H,3-5,12-13H2,1-2H3
• InChIKey: DYFPTOUGCBISDZ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 120.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.69
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 166933666) is 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(N4CCCS4(=O)=O)cn3)cn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is DYFPTOUGCBISDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8O2S2/c1-3-21-27(35(4-2)28-34-26(23(14-30)40-28)18-6-9-20(29)10-7-18)36-17-19(8-11-24(36)33-21)22-15-32-25(16-31-22)37-12-5-13-41(37,38)39/h6-11,15-17H,3-5,12-13H2,1-2H3.

What are the key properties of 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 588.69 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazin-2-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 166933666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).