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

C27H23N3O2S2 — CID 43950698

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

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 43950698) has the molecular formula C27H23N3O2S2 and a molecular weight of 485.63 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-naphthalen-2-yloxyacetamide.

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-naphthalen-2-yloxyacetamide
• PubChem CID: 43950698
• Molecular Formula: C27H23N3O2S2
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.12
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
• SMILES: CN1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2-c2nc3ccccc3s2)C1
• InChI: InChI=1S/C27H23N3O2S2/c1-30-13-12-20-23(15-30)34-27(25(20)26-28-21-8-4-5-9-22(21)33-26)29-24(31)16-32-19-11-10-17-6-2-3-7-18(17)14-19/h2-11,14H,12-13,15-16H2,1H3,(H,29,31)
• InChIKey: LNOXHECQZPDGAE-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-naphthalen-2-yloxyacetamide?

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-naphthalen-2-yloxyacetamide (CID 43950698) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide.

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-naphthalen-2-yloxyacetamide?

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-naphthalen-2-yloxyacetamide is CN1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2-c2nc3ccccc3s2)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-naphthalen-2-yloxyacetamide?

The InChIKey is LNOXHECQZPDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S2/c1-30-13-12-20-23(15-30)34-27(25(20)26-28-21-8-4-5-9-22(21)33-26)29-24(31)16-32-19-11-10-17-6-2-3-7-18(17)14-19/h2-11,14H,12-13,15-16H2,1H3,(H,29,31).

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-naphthalen-2-yloxyacetamide?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 485.63 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 43950698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).