2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one

C23H27N5OS — CID 146343615

About 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one

2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 146343615) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one
• PubChem CID: 146343615
• Molecular Formula: C23H27N5OS
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.19
• IUPAC Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one
• SMILES: CCc1cc2c(cn1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2
• InChI: InChI=1S/C23H27N5OS/c1-2-18-15-17-7-8-28(23(29)20(17)16-24-18)14-11-26-9-12-27(13-10-26)22-19-5-3-4-6-21(19)30-25-22/h3-6,15-16H,2,7-14H2,1H3
• InChIKey: NBMCMVKIOBKUGI-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 52.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one?

The IUPAC name of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one (CID 146343615) is 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one.

What is the SMILES notation for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one?

The canonical SMILES for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one is CCc1cc2c(cn1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2.

What is the InChIKey of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one?

The InChIKey is NBMCMVKIOBKUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-2-18-15-17-7-8-28(23(29)20(17)16-24-18)14-11-26-9-12-27(13-10-26)22-19-5-3-4-6-21(19)30-25-22/h3-6,15-16H,2,7-14H2,1H3.

What are the key properties of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one?

2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 421.57 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-ethyl-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 146343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).