N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide

C19H15Cl2N3O3S — CID 60597278

About N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 60597278) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 60597278
• Molecular Formula: C19H15Cl2N3O3S
• Molecular Weight: 436.32 g/mol
• Exact Mass: 435.02
• IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1
• InChI: InChI=1S/C19H15Cl2N3O3S/c1-10(25)22-12-4-6-17(27-2)15(8-12)23-18(26)16-9-28-19(24-16)11-3-5-13(20)14(21)7-11/h3-9H,1-2H3,(H,22,25)(H,23,26)
• InChIKey: QFFNKRPNVHKMKZ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.32
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (CID 60597278) is N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1.

What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is QFFNKRPNVHKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-10(25)22-12-4-6-17(27-2)15(8-12)23-18(26)16-9-28-19(24-16)11-3-5-13(20)14(21)7-11/h3-9H,1-2H3,(H,22,25)(H,23,26).

What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?

N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 436.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60597278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).