1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C22H18N4OS — CID 160895108

About 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 160895108) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• PubChem CID: 160895108
• Molecular Formula: C22H18N4OS
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.12
• IUPAC Name: 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• SMILES: O=C(Cc1cc2cc(-c3cncs3)ncc2cn1)c1ccc2c(c1)CNCC2
• InChI: InChI=1S/C22H18N4OS/c27-21(15-2-1-14-3-4-23-9-17(14)5-15)8-19-6-16-7-20(22-12-24-13-28-22)26-11-18(16)10-25-19/h1-2,5-7,10-13,23H,3-4,8-9H2
• InChIKey: SOTRDHNFVBURRN-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 160895108) is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cncs3)ncc2cn1)c1ccc2c(c1)CNCC2.

What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The InChIKey is SOTRDHNFVBURRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(15-2-1-14-3-4-23-9-17(14)5-15)8-19-6-16-7-20(22-12-24-13-28-22)26-11-18(16)10-25-19/h1-2,5-7,10-13,23H,3-4,8-9H2.

What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 386.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 160895108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).