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

C18H19N3O2S — CID 71007369

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

N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 71007369) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
• PubChem CID: 71007369
• Molecular Formula: C18H19N3O2S
• Molecular Weight: 341.44 g/mol
• Exact Mass: 341.12
• IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
• SMILES: CCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3o2)C1
• InChI: InChI=1S/C18H19N3O2S/c1-3-21-9-8-12-15(10-21)24-18(19-11(2)22)16(12)17-20-13-6-4-5-7-14(13)23-17/h4-7H,3,8-10H2,1-2H3,(H,19,22)
• InChIKey: MAQIQNRKASKFDT-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.44
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?

The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (CID 71007369) is N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.

What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?

The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is CCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3o2)C1.

What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?

The InChIKey is MAQIQNRKASKFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-21-9-8-12-15(10-21)24-18(19-11(2)22)16(12)17-20-13-6-4-5-7-14(13)23-17/h4-7H,3,8-10H2,1-2H3,(H,19,22).

What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?

N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzoxazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 71007369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).