2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C17H21N7OS — CID 70727629

About 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70727629) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 70727629
• Molecular Formula: C17H21N7OS
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.15
• IUPAC Name: 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1c(N)nc2cc(C(=O)NCCC3=CSC4=NCCCN34)cnc21
• InChI: InChI=1S/C17H21N7OS/c1-2-23-14-13(22-16(23)18)8-11(9-21-14)15(25)19-6-4-12-10-26-17-20-5-3-7-24(12)17/h8-10H,2-7H2,1H3,(H2,18,22)(H,19,25)
• InChIKey: WFEWYXQRTJGUNE-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 101.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70727629) is 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCC3=CSC4=NCCCN34)cnc21.

What is the InChIKey of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is WFEWYXQRTJGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-2-23-14-13(22-16(23)18)8-11(9-21-14)15(25)19-6-4-12-10-26-17-20-5-3-7-24(12)17/h8-10H,2-7H2,1H3,(H2,18,22)(H,19,25).

What are the key properties of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?

2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70727629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).