2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C20H19ClN2O2S — CID 7535982

About 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 7535982) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 7535982
• Molecular Formula: C20H19ClN2O2S
• Molecular Weight: 386.90 g/mol
• Exact Mass: 386.09
• IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1cccc(Cc2cnc(NC(=O)COc3ccc(Cl)c(C)c3)s2)c1
• InChI: InChI=1S/C20H19ClN2O2S/c1-13-4-3-5-15(8-13)10-17-11-22-20(26-17)23-19(24)12-25-16-6-7-18(21)14(2)9-16/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
• InChIKey: BWKKDMRRWFSRJL-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.90
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 7535982) is 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)COc3ccc(Cl)c(C)c3)s2)c1.

What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is BWKKDMRRWFSRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-13-4-3-5-15(8-13)10-17-11-22-20(26-17)23-19(24)12-25-16-6-7-18(21)14(2)9-16/h3-9,11H,10,12H2,1-2H3,(H,22,23,24).

What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.90 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7535982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).