2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C111H114N22O10S5 — CID 159894202

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 159894202) has the molecular formula C111H114N22O10S5 and a molecular weight of 2076.61 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 159894202
• Molecular Formula: C111H114N22O10S5
• Molecular Weight: 2076.61 g/mol
• Exact Mass: 2074.77
• IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: CN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.C[C@@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.C[C@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ncccc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
• InChI: InChI=1S/3C23H24N4O2S.2C21H21N5O2S/c1-26-9-11-27(12-10-26)20-5-3-2-4-18(20)24-22(28)19-15-30-23(25-19)17-6-7-21-16(14-17)8-13-29-21;2*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;27-20(24-16-12-23-5-3-18(16)26-8-6-22-7-9-26)17-13-29-21(25-17)15-1-2-19-14(11-15)4-10-28-19;27-20(25-19-17(2-1-6-23-19)26-9-7-22-8-10-26)16-13-29-21(24-16)15-3-4-18-14(12-15)5-11-28-18/h2-7,14-15H,8-13H2,1H3,(H,24,28);2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28);1-3,5,11-13,22H,4,6-10H2,(H,24,27);1-4,6,12-13,22H,5,7-11H2,(H,23,25,27)/t;2*15-;;/m.10../s1
• InChIKey: NVDHBYJCBBGJCC-FFCQYTTBSA-N
• XLogP: 16.94
• TPSA: 349.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.61
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 159894202) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.C[C@@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.C[C@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1ncccc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.

What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is NVDHBYJCBBGJCC-FFCQYTTBSA-N. The full InChI is InChI=1S/3C23H24N4O2S.2C21H21N5O2S/c1-26-9-11-27(12-10-26)20-5-3-2-4-18(20)24-22(28)19-15-30-23(25-19)17-6-7-21-16(14-17)8-13-29-21;2*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;27-20(24-16-12-23-5-3-18(16)26-8-6-22-7-9-26)17-13-29-21(25-17)15-1-2-19-14(11-15)4-10-28-19;27-20(25-19-17(2-1-6-23-19)26-9-7-22-8-10-26)16-13-29-21(24-16)15-3-4-18-14(12-15)5-11-28-18/h2-7,14-15H,8-13H2,1H3,(H,24,28);2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28);1-3,5,11-13,22H,4,6-10H2,(H,24,27);1-4,6,12-13,22H,5,7-11H2,(H,23,25,27)/t;2*15-;;/m.10../s1.

What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2076.61 g/mol, XLogP of 16.94, 20 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-2-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159894202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).