N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C21H16N4O2S2 — CID 126467404

About N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 126467404) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 126467404
• Molecular Formula: C21H16N4O2S2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.07
• IUPAC Name: N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1csc(-c2cccs2)n1
• InChI: InChI=1S/C21H16N4O2S2/c26-20(17-12-29-21(25-17)18-5-2-8-28-18)24-10-14-9-13-3-1-4-15(19(13)27-14)16-11-22-6-7-23-16/h1-8,11-12,14H,9-10H2,(H,24,26)
• InChIKey: ONBDRUKZFNZXPS-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 126467404) is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1csc(-c2cccs2)n1.

What is the InChIKey of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is ONBDRUKZFNZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c26-20(17-12-29-21(25-17)18-5-2-8-28-18)24-10-14-9-13-3-1-4-15(19(13)27-14)16-11-22-6-7-23-16/h1-8,11-12,14H,9-10H2,(H,24,26).

What are the key properties of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126467404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).