2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

C17H14Cl2N2O2S2 — CID 33296953

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 33296953) has the molecular formula C17H14Cl2N2O2S2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
• PubChem CID: 33296953
• Molecular Formula: C17H14Cl2N2O2S2
• Molecular Weight: 413.35 g/mol
• Exact Mass: 411.99
• IUPAC Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
• SMILES: O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccc(Cl)s1
• InChI: InChI=1S/C17H14Cl2N2O2S2/c18-11-1-3-13(4-2-11)23-9-17-21-12(10-24-17)7-16(22)20-8-14-5-6-15(19)25-14/h1-6,10H,7-9H2,(H,20,22)
• InChIKey: MIQGSQGHUQVHFE-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.35
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (CID 33296953) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccc(Cl)s1.

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

The InChIKey is MIQGSQGHUQVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S2/c18-11-1-3-13(4-2-11)23-9-17-21-12(10-24-17)7-16(22)20-8-14-5-6-15(19)25-14/h1-6,10H,7-9H2,(H,20,22).

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 413.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 33296953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).