2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H23ClN2O2S — CID 34804771

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 34804771) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 34804771
• Molecular Formula: C23H23ClN2O2S
• Molecular Weight: 426.97 g/mol
• Exact Mass: 426.12
• IUPAC Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C23H23ClN2O2S/c1-26(21-8-4-6-16-5-2-3-7-20(16)21)23(27)13-18-15-29-22(25-18)14-28-19-11-9-17(24)10-12-19/h2-3,5,7,9-12,15,21H,4,6,8,13-14H2,1H3/t21-/m1/s1
• InChIKey: KEASUJKSJQJCJI-OAQYLSRUSA-N
• XLogP: 5.45
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.97
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 34804771) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCc2ccccc21.

What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is KEASUJKSJQJCJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-26(21-8-4-6-16-5-2-3-7-20(16)21)23(27)13-18-15-29-22(25-18)14-28-19-11-9-17(24)10-12-19/h2-3,5,7,9-12,15,21H,4,6,8,13-14H2,1H3/t21-/m1/s1.

What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 426.97 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 34804771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).