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

C22H22N2O3S — CID 5074710

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

2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5074710) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 5074710
• Molecular Formula: C22H22N2O3S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.14
• IUPAC Name: 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C22H22N2O3S/c1-26-18-8-5-9-19(27-2)20(18)21(25)24-22-23-17(13-28-22)16-11-10-14-6-3-4-7-15(14)12-16/h5,8-13H,3-4,6-7H2,1-2H3,(H,23,24,25)
• InChIKey: ZIUAZTUSLVQFAA-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 5074710) is 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

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

The InChIKey is ZIUAZTUSLVQFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-26-18-8-5-9-19(27-2)20(18)21(25)24-22-23-17(13-28-22)16-11-10-14-6-3-4-7-15(14)12-16/h5,8-13H,3-4,6-7H2,1-2H3,(H,23,24,25).

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

2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).