N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide

C116H116N18O11S5 — CID 157105447

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 157105447) has the molecular formula C116H116N18O11S5 and a molecular weight of 2098.65 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 157105447
• Molecular Formula: C116H116N18O11S5
• Molecular Weight: 2098.65 g/mol
• Exact Mass: 2096.77
• IUPAC Name: N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(=O)N1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.CC1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.CC1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
• InChI: InChI=1S/C24H24N4O3S.2C23H24N4O2S.C23H23N3O2S.C23H21N3O2S/c1-16(29)27-9-11-28(12-10-27)21-5-3-2-4-19(21)25-23(30)20-15-32-24(26-20)18-6-7-22-17(14-18)8-13-31-22;1-15-13-27(10-9-24-15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21;1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21;2*27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h2-7,14-15H,8-13H2,1H3,(H,25,30);2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28);1-6,13-15,24H,7-12H2,(H,25,27);1-7,13-14,24H,8-12H2,(H,25,27)
• InChIKey: AGGAVYNJTSOGBN-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 334.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.65
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 157105447) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.CC1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.CC1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.

What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is AGGAVYNJTSOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S.2C23H24N4O2S.C23H23N3O2S.C23H21N3O2S/c1-16(29)27-9-11-28(12-10-27)21-5-3-2-4-19(21)25-23(30)20-15-32-24(26-20)18-6-7-22-17(14-18)8-13-31-22;1-15-13-27(10-9-24-15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21;1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21;2*27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h2-7,14-15H,8-13H2,1H3,(H,25,30);2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28);1-6,13-15,24H,7-12H2,(H,25,27);1-7,13-14,24H,8-12H2,(H,25,27).

What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2098.65 g/mol, XLogP of 20.09, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157105447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).