2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C42H40N8O3S2 — CID 143665808

About 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 143665808) has the molecular formula C42H40N8O3S2 and a molecular weight of 768.97 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 143665808
• Molecular Formula: C42H40N8O3S2
• Molecular Weight: 768.97 g/mol
• Exact Mass: 768.27
• IUPAC Name: 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1
• InChI: InChI=1S/C22H20N4O2S.C20H20N4OS/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;25-19(17-14-26-20(23-17)15-6-2-1-3-7-15)22-16-8-4-5-9-18(16)24-12-10-21-11-13-24/h1-7,12-14,23H,8-11H2,(H,24,27);1-9,14,21H,10-13H2,(H,22,25)
• InChIKey: IGCCZLXHLOWIIS-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 127.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	768.97
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 143665808) is 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1.

What is the InChIKey of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is IGCCZLXHLOWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S.C20H20N4OS/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;25-19(17-14-26-20(23-17)15-6-2-1-3-7-15)22-16-8-4-5-9-18(16)24-12-10-21-11-13-24/h1-7,12-14,23H,8-11H2,(H,24,27);1-9,14,21H,10-13H2,(H,22,25).

What are the key properties of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 768.97 g/mol, XLogP of 7.69, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).