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

C21H21Cl2N3OS — CID 2239758

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide (PubChem CID 2239758) has the molecular formula C21H21Cl2N3OS and a molecular weight of 434.39 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

• Compound Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
• PubChem CID: 2239758
• Molecular Formula: C21H21Cl2N3OS
• Molecular Weight: 434.39 g/mol
• Exact Mass: 433.08
• IUPAC Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
• SMILES: CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1
• InChI: InChI=1S/C21H21Cl2N3OS/c1-13(2)14-6-8-16(9-7-14)24-12-19(27)26-21-25-11-17(28-21)10-15-4-3-5-18(22)20(15)23/h3-9,11,13,24H,10,12H2,1-2H3,(H,25,26,27)
• InChIKey: FZENANRPGRZZOA-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide (CID 2239758) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide.

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

The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide is CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1.

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

The InChIKey is FZENANRPGRZZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3OS/c1-13(2)14-6-8-16(9-7-14)24-12-19(27)26-21-25-11-17(28-21)10-15-4-3-5-18(22)20(15)23/h3-9,11,13,24H,10,12H2,1-2H3,(H,25,26,27).

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 434.39 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 2239758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).