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

C18H18Cl2N4OS — CID 46970393

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 46970393) has the molecular formula C18H18Cl2N4OS and a molecular weight of 409.34 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

• Compound Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
• PubChem CID: 46970393
• Molecular Formula: C18H18Cl2N4OS
• Molecular Weight: 409.34 g/mol
• Exact Mass: 408.06
• IUPAC Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
• SMILES: Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1
• InChI: InChI=1S/C18H18Cl2N4OS/c1-12-21-7-9-24(12)8-3-6-16(25)23-18-22-11-14(26-18)10-13-4-2-5-15(19)17(13)20/h2,4-5,7,9,11H,3,6,8,10H2,1H3,(H,22,23,25)
• InChIKey: ZCWGNYZENHSZMK-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.34
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide (CID 46970393) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide.

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

The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1.

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

The InChIKey is ZCWGNYZENHSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4OS/c1-12-21-7-9-24(12)8-3-6-16(25)23-18-22-11-14(26-18)10-13-4-2-5-15(19)17(13)20/h2,4-5,7,9,11H,3,6,8,10H2,1H3,(H,22,23,25).

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 409.34 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 46970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).