N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide

C24H23N3O3S2 — CID 3308384

About N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide (PubChem CID 3308384) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 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]-2,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide
• PubChem CID: 3308384
• Molecular Formula: C24H23N3O3S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.12
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)c(OC)c1
• InChI: InChI=1S/C24H23N3O3S2/c1-27-11-10-16-20(13-27)32-24(21(16)23-25-17-6-4-5-7-19(17)31-23)26-22(28)15-9-8-14(29-2)12-18(15)30-3/h4-9,12H,10-11,13H2,1-3H3,(H,26,28)
• InChIKey: IGQHIGKZQHJRNM-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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]-2,4-dimethoxybenzamide?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide (CID 3308384) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide.

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]-2,4-dimethoxybenzamide?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)c(OC)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]-2,4-dimethoxybenzamide?

The InChIKey is IGQHIGKZQHJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-27-11-10-16-20(13-27)32-24(21(16)23-25-17-6-4-5-7-19(17)31-23)26-22(28)15-9-8-14(29-2)12-18(15)30-3/h4-9,12H,10-11,13H2,1-3H3,(H,26,28).

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]-2,4-dimethoxybenzamide?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 465.60 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3308384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).