N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

C23H23N5O4S — CID 71788048

About N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 71788048) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
• PubChem CID: 71788048
• Molecular Formula: C23H23N5O4S
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.15
• IUPAC Name: N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)N3CCc4nc(NC(=O)c5cnccn5)sc4C3)c2O1
• InChI: InChI=1S/C23H23N5O4S/c1-23(2)10-14-4-3-5-17(20(14)32-23)31-13-19(29)28-9-6-15-18(12-28)33-22(26-15)27-21(30)16-11-24-7-8-25-16/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3,(H,26,27,30)
• InChIKey: HUQJBKCEAGIAMR-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 71788048) is N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is CC1(C)Cc2cccc(OCC(=O)N3CCc4nc(NC(=O)c5cnccn5)sc4C3)c2O1.

What is the InChIKey of N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?

The InChIKey is HUQJBKCEAGIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-23(2)10-14-4-3-5-17(20(14)32-23)31-13-19(29)28-9-6-15-18(12-28)33-22(26-15)27-21(30)16-11-24-7-8-25-16/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3,(H,26,27,30).

What are the key properties of N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?

N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71788048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).