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

C24H23N3O3S2 — CID 43950600

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

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 43950600) 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-(2-methoxyphenoxy)acetamide.

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-(2-methoxyphenoxy)acetamide
• PubChem CID: 43950600
• 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-(2-methoxyphenoxy)acetamide
• SMILES: COc1ccccc1OCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2
• InChI: InChI=1S/C24H23N3O3S2/c1-27-12-11-15-20(13-27)32-24(22(15)23-25-16-7-3-6-10-19(16)31-23)26-21(28)14-30-18-9-5-4-8-17(18)29-2/h3-10H,11-14H2,1-2H3,(H,26,28)
• InChIKey: FXEYQPOTXOIAMU-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.04
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-(2-methoxyphenoxy)acetamide?

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-(2-methoxyphenoxy)acetamide (CID 43950600) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenoxy)acetamide.

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-(2-methoxyphenoxy)acetamide?

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-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2.

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-(2-methoxyphenoxy)acetamide?

The InChIKey is FXEYQPOTXOIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-27-12-11-15-20(13-27)32-24(22(15)23-25-16-7-3-6-10-19(16)31-23)26-21(28)14-30-18-9-5-4-8-17(18)29-2/h3-10H,11-14H2,1-2H3,(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-(2-methoxyphenoxy)acetamide?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 465.60 g/mol, XLogP of 5.04, 6 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-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 43950600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).