8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate

C103H93N21O16S8 — CID 159105824

About 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate

8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 159105824) has the molecular formula C103H93N21O16S8 and a molecular weight of 2137.54 g/mol. Its IUPAC name is 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 159105824
• Molecular Formula: C103H93N21O16S8
• Molecular Weight: 2137.54 g/mol
• Exact Mass: 2135.49
• IUPAC Name: 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cccn12.CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(C)=O)sc4c3)cccn12.CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(C)=O)sc4c3)cccn12
• InChI: InChI=1S/C28H27N5O5S2.C27H26N6O4S2.C25H21N5O4S2.C23H19N5O3S2/c1-5-37-25(35)22-21(17-10-12-39-15-17)31-23-18(7-6-11-33(22)23)24(34)29-14-16-8-9-19-20(13-16)40-26(30-19)32-27(36)38-28(2,3)4;1-3-18(13-34)30-26(37)23-22(17-8-10-38-14-17)32-24-19(5-4-9-33(23)24)25(36)28-12-16-6-7-20-21(11-16)39-27(31-20)29-15(2)35;1-3-34-24(33)21-20(16-8-10-35-13-16)29-22-17(5-4-9-30(21)22)23(32)26-12-15-6-7-18-19(11-15)36-25(28-18)27-14(2)31;1-2-31-22(30)19-18(14-7-9-32-12-14)27-20-15(4-3-8-28(19)20)21(29)25-11-13-5-6-16-17(10-13)33-23(24)26-16/h6-13,15H,5,14H2,1-4H3,(H,29,34)(H,30,32,36);4-11,14,18,34H,3,12-13H2,1-2H3,(H,28,36)(H,30,37)(H,29,31,35);4-11,13H,3,12H2,1-2H3,(H,26,32)(H,27,28,31);3-10,12H,2,11H2,1H3,(H2,24,26)(H,25,29)/t;18-;;/m.0../s1
• InChIKey: KDWGVZAKLUAYKR-QQHZQADKSA-N
• XLogP: 19.29
• TPSA: 487.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.54
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (CID 159105824) is 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(=O)OC(C)(C)C)sc4c3)cccn12.CCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(C)=O)sc4c3)cccn12.CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(NC(C)=O)sc4c3)cccn12.

What is the InChIKey of 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is KDWGVZAKLUAYKR-QQHZQADKSA-N. The full InChI is InChI=1S/C28H27N5O5S2.C27H26N6O4S2.C25H21N5O4S2.C23H19N5O3S2/c1-5-37-25(35)22-21(17-10-12-39-15-17)31-23-18(7-6-11-33(22)23)24(34)29-14-16-8-9-19-20(13-16)40-26(30-19)32-27(36)38-28(2,3)4;1-3-18(13-34)30-26(37)23-22(17-8-10-38-14-17)32-24-19(5-4-9-33(23)24)25(36)28-12-16-6-7-20-21(11-16)39-27(31-20)29-15(2)35;1-3-34-24(33)21-20(16-8-10-35-13-16)29-22-17(5-4-9-30(21)22)23(32)26-12-15-6-7-18-19(11-15)36-25(28-18)27-14(2)31;1-2-31-22(30)19-18(14-7-9-32-12-14)27-20-15(4-3-8-28(19)20)21(29)25-11-13-5-6-16-17(10-13)33-23(24)26-16/h6-13,15H,5,14H2,1-4H3,(H,29,34)(H,30,32,36);4-11,14,18,34H,3,12-13H2,1-2H3,(H,28,36)(H,30,37)(H,29,31,35);4-11,13H,3,12H2,1-2H3,(H,26,32)(H,27,28,31);3-10,12H,2,11H2,1H3,(H2,24,26)(H,25,29)/t;18-;;/m.0../s1.

What are the key properties of 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?

8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 2137.54 g/mol, XLogP of 19.29, 29 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 159105824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).