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

C21H15Cl2N3OS3 — CID 18873983

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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 18873983) has the molecular formula C21H15Cl2N3OS3 and a molecular weight of 492.48 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 18873983
• Molecular Formula: C21H15Cl2N3OS3
• Molecular Weight: 492.48 g/mol
• Exact Mass: 490.98
• IUPAC Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nc(-c2ccccc2)cs1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
• InChI: InChI=1S/C21H15Cl2N3OS3/c22-15-6-7-17(23)14(8-15)9-16-10-24-20(30-16)26-19(27)12-29-21-25-18(11-28-21)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,24,26,27)
• InChIKey: FKRPIGAUOYRKPU-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.48
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 18873983) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cs1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.

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

The InChIKey is FKRPIGAUOYRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3OS3/c22-15-6-7-17(23)14(8-15)9-16-10-24-20(30-16)26-19(27)12-29-21-25-18(11-28-21)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2,(H,24,26,27).

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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 492.48 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18873983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).