tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane

C28H34N6O3S2 — CID 143717137

About tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane

tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane (PubChem CID 143717137) has the molecular formula C28H34N6O3S2 and a molecular weight of 566.75 g/mol. Its IUPAC name is tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane.

Molecular Properties

• Compound Name: tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane
• PubChem CID: 143717137
• Molecular Formula: C28H34N6O3S2
• Molecular Weight: 566.75 g/mol
• Exact Mass: 566.21
• IUPAC Name: tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane
• SMILES: CC.CC.CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12
• InChI: InChI=1S/C24H22N6O3S2.2C2H6/c1-24(2,3)33-22(32)18-17(14-6-8-34-12-14)28-20-15(5-4-7-30(18)20)21(31)27-11-13-9-16-19(26-10-13)29-23(25)35-16;2*1-2/h4-10,12H,11H2,1-3H3,(H,27,31)(H2,25,26,29);2*1-2H3
• InChIKey: CMROMKAUTQFNMW-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.75
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane?

The IUPAC name of tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane (CID 143717137) is tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane.

What is the SMILES notation for tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane?

The canonical SMILES for tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane is CC.CC.CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12.

What is the InChIKey of tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane?

The InChIKey is CMROMKAUTQFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S2.2C2H6/c1-24(2,3)33-22(32)18-17(14-6-8-34-12-14)28-20-15(5-4-7-30(18)20)21(31)27-11-13-9-16-19(26-10-13)29-23(25)35-16;2*1-2/h4-10,12H,11H2,1-3H3,(H,27,31)(H2,25,26,29);2*1-2H3.

What are the key properties of tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane?

tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane has a molecular weight of 566.75 g/mol, XLogP of 6.59, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethane is sourced from PubChem (CID 143717137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).