2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C21H15Cl2N3O2S3 — CID 4006854

About 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4006854) has the molecular formula C21H15Cl2N3O2S3 and a molecular weight of 508.48 g/mol. Its IUPAC name is 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 4006854
• Molecular Formula: C21H15Cl2N3O2S3
• Molecular Weight: 508.48 g/mol
• Exact Mass: 506.97
• IUPAC Name: 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1
• InChI: InChI=1S/C21H15Cl2N3O2S3/c1-28-14-5-2-12(3-6-14)17-9-29-20(24-17)26-19(27)11-31-21-25-18(10-30-21)15-7-4-13(22)8-16(15)23/h2-10H,11H2,1H3,(H,24,26,27)
• InChIKey: FANMUTXCIOZVDY-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.48
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 4006854) is 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1.

What is the InChIKey of 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is FANMUTXCIOZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2S3/c1-28-14-5-2-12(3-6-14)17-9-29-20(24-17)26-19(27)11-31-21-25-18(10-30-21)15-7-4-13(22)8-16(15)23/h2-10H,11H2,1H3,(H,24,26,27).

What are the key properties of 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 508.48 g/mol, XLogP of 6.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4006854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).