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

C24H23N3OS2 — CID 4595397

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

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide (PubChem CID 4595397) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 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-methylbenzamide.

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-methylbenzamide
• PubChem CID: 4595397
• Molecular Formula: C24H23N3OS2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide
• SMILES: CCN1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1
• InChI: InChI=1S/C24H23N3OS2/c1-3-27-13-12-17-20(14-27)30-24(26-22(28)16-10-8-15(2)9-11-16)21(17)23-25-18-6-4-5-7-19(18)29-23/h4-11H,3,12-14H2,1-2H3,(H,26,28)
• InChIKey: SOXBEMIGEKDADY-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-methylbenzamide?

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-methylbenzamide (CID 4595397) is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide.

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-methylbenzamide?

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-methylbenzamide is CCN1CCc2c(sc(NC(=O)c3ccc(C)cc3)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-methylbenzamide?

The InChIKey is SOXBEMIGEKDADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-3-27-13-12-17-20(14-27)30-24(26-22(28)16-10-8-15(2)9-11-16)21(17)23-25-18-6-4-5-7-19(18)29-23/h4-11H,3,12-14H2,1-2H3,(H,26,28).

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-methylbenzamide?

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide has a molecular weight of 433.60 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylbenzamide is sourced from PubChem (CID 4595397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).