4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide

C23H24N2O3S — CID 18285465

About 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide

4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 18285465) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 18285465
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC
• InChI: InChI=1S/C23H24N2O3S/c1-3-28-20-11-10-18(13-21(20)27-2)22(26)25-23-24-19(14-29-23)17-9-8-15-6-4-5-7-16(15)12-17/h8-14H,3-7H2,1-2H3,(H,24,25,26)
• InChIKey: WJPCLNRBEGWJBH-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 18285465) is 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC.

What is the InChIKey of 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is WJPCLNRBEGWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-28-20-11-10-18(13-21(20)27-2)22(26)25-23-24-19(14-29-23)17-9-8-15-6-4-5-7-16(15)12-17/h8-14H,3-7H2,1-2H3,(H,24,25,26).

What are the key properties of 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18285465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).