3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

C20H17Cl2N3O2S — CID 46485096

About 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 46485096) has the molecular formula C20H17Cl2N3O2S and a molecular weight of 434.35 g/mol. Its IUPAC name is 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
• PubChem CID: 46485096
• Molecular Formula: C20H17Cl2N3O2S
• Molecular Weight: 434.35 g/mol
• Exact Mass: 433.04
• IUPAC Name: 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
• SMILES: CC(=O)Nc1cc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)ccc1C
• InChI: InChI=1S/C20H17Cl2N3O2S/c1-11-3-4-13(9-18(11)24-12(2)26)19(27)25-20-23-10-16(28-20)8-14-7-15(21)5-6-17(14)22/h3-7,9-10H,8H2,1-2H3,(H,24,26)(H,23,25,27)
• InChIKey: ZLDPEAWBHXQHPE-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.35
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (CID 46485096) is 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.

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

The canonical SMILES for 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)ccc1C.

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

The InChIKey is ZLDPEAWBHXQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2S/c1-11-3-4-13(9-18(11)24-12(2)26)19(27)25-20-23-10-16(28-20)8-14-7-15(21)5-6-17(14)22/h3-7,9-10H,8H2,1-2H3,(H,24,26)(H,23,25,27).

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

3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 434.35 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 46485096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).