2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C22H22Cl2N2O2S — CID 18836221

About 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 18836221) has the molecular formula C22H22Cl2N2O2S and a molecular weight of 449.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 18836221
• Molecular Formula: C22H22Cl2N2O2S
• Molecular Weight: 449.40 g/mol
• Exact Mass: 448.08
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)(C)c1ccc(OCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1
• InChI: InChI=1S/C22H22Cl2N2O2S/c1-22(2,3)15-4-6-18(7-5-15)28-13-20(27)26-21-25-12-19(29-21)10-14-8-16(23)11-17(24)9-14/h4-9,11-12H,10,13H2,1-3H3,(H,25,26,27)
• InChIKey: QXEPUSPROFRCHL-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.40
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 18836221) is 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is QXEPUSPROFRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2S/c1-22(2,3)15-4-6-18(7-5-15)28-13-20(27)26-21-25-12-19(29-21)10-14-8-16(23)11-17(24)9-14/h4-9,11-12H,10,13H2,1-3H3,(H,25,26,27).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 449.40 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18836221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).