N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide

C94H81N13O9S9 — CID 157413026

About N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 157413026) has the molecular formula C94H81N13O9S9 and a molecular weight of 1825.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 157413026
• Molecular Formula: C94H81N13O9S9
• Molecular Weight: 1825.37 g/mol
• Exact Mass: 1823.38
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: CN1CCc2c(sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1.CN1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1.CN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1.COc1cccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)c1
• InChI: InChI=1S/C26H22N4O3S2.C24H23N3O3S2.C24H19N3O2S2.C20H17N3OS3/c1-29-12-10-17-20(14-29)35-24(22(17)23-27-18-8-4-5-9-19(18)34-23)28-21(31)11-13-30-25(32)15-6-2-3-7-16(15)26(30)33;1-27-11-10-17-20(13-27)32-24(22(17)23-25-18-8-3-4-9-19(18)31-23)26-21(28)14-30-16-7-5-6-15(12-16)29-2;1-27-11-10-15-20(13-27)31-24(21(15)23-25-16-7-3-5-9-19(16)30-23)26-22(28)18-12-14-6-2-4-8-17(14)29-18;1-23-9-8-12-16(11-23)27-20(22-18(24)15-7-4-10-25-15)17(12)19-21-13-5-2-3-6-14(13)26-19/h2-9H,10-14H2,1H3,(H,28,31);3-9,12H,10-11,13-14H2,1-2H3,(H,26,28);2-9,12H,10-11,13H2,1H3,(H,26,28);2-7,10H,8-9,11H2,1H3,(H,22,24)
• InChIKey: BOMZJWUQCOOHLN-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 249.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.37
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide (CID 157413026) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide is CN1CCc2c(sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1.CN1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1.CN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1.COc1cccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)c1.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is BOMZJWUQCOOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S2.C24H23N3O3S2.C24H19N3O2S2.C20H17N3OS3/c1-29-12-10-17-20(14-29)35-24(22(17)23-27-18-8-4-5-9-19(18)34-23)28-21(31)11-13-30-25(32)15-6-2-3-7-16(15)26(30)33;1-27-11-10-17-20(13-27)32-24(22(17)23-25-18-8-3-4-9-19(18)31-23)26-21(28)14-30-16-7-5-6-15(12-16)29-2;1-27-11-10-15-20(13-27)31-24(21(15)23-25-16-7-3-5-9-19(16)30-23)26-22(28)18-12-14-6-2-4-8-17(14)29-18;1-23-9-8-12-16(11-23)27-20(22-18(24)15-7-4-10-25-15)17(12)19-21-13-5-2-3-6-14(13)26-19/h2-9H,10-14H2,1H3,(H,28,31);3-9,12H,10-11,13-14H2,1-2H3,(H,26,28);2-9,12H,10-11,13H2,1H3,(H,26,28);2-7,10H,8-9,11H2,1H3,(H,22,24).

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 1825.37 g/mol, XLogP of 21.01, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-benzofuran-2-carboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methoxyphenoxy)acetamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157413026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).