N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane

C47H48N6O3S5 — CID 143820897

About N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane (PubChem CID 143820897) has the molecular formula C47H48N6O3S5 and a molecular weight of 905.28 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane
• PubChem CID: 143820897
• Molecular Formula: C47H48N6O3S5
• Molecular Weight: 905.28 g/mol
• Exact Mass: 904.24
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane
• SMILES: CC.CCN1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1.CCN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1
• InChI: InChI=1S/C24H23N3O2S2.C21H19N3OS3.C2H6/c1-3-27-13-12-17-20(14-27)31-24(26-22(28)15-8-10-16(29-2)11-9-15)21(17)23-25-18-6-4-5-7-19(18)30-23;1-2-24-10-9-13-17(12-24)28-21(23-19(25)16-8-5-11-26-16)18(13)20-22-14-6-3-4-7-15(14)27-20;1-2/h4-11H,3,12-14H2,1-2H3,(H,26,28);3-8,11H,2,9-10,12H2,1H3,(H,23,25);1-2H3
• InChIKey: FJXOPUFDOCUCDF-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.28
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane (CID 143820897) is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane is CC.CCN1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1.CCN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane?

The InChIKey is FJXOPUFDOCUCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2.C21H19N3OS3.C2H6/c1-3-27-13-12-17-20(14-27)31-24(26-22(28)15-8-10-16(29-2)11-9-15)21(17)23-25-18-6-4-5-7-19(18)30-23;1-2-24-10-9-13-17(12-24)28-21(23-19(25)16-8-5-11-26-16)18(13)20-22-14-6-3-4-7-15(14)27-20;1-2/h4-11H,3,12-14H2,1-2H3,(H,26,28);3-8,11H,2,9-10,12H2,1H3,(H,23,25);1-2H3.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane?

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane has a molecular weight of 905.28 g/mol, XLogP of 12.41, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide;N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiophene-2-carboxamide;ethane is sourced from PubChem (CID 143820897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).