2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

C23H24ClN3O2S — CID 55652172

About 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55652172) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 55652172
• Molecular Formula: C23H24ClN3O2S
• Molecular Weight: 441.98 g/mol
• Exact Mass: 441.13
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCC1CCN(c2ccccc2)C1
• InChI: InChI=1S/C23H24ClN3O2S/c1-16-22(30-21(26-16)15-29-20-9-7-18(24)8-10-20)23(28)25-13-17-11-12-27(14-17)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,25,28)
• InChIKey: MUTMZPPFZCZNST-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.98
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 55652172) is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCC1CCN(c2ccccc2)C1.

What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is MUTMZPPFZCZNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-16-22(30-21(26-16)15-29-20-9-7-18(24)8-10-20)23(28)25-13-17-11-12-27(14-17)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,25,28).

What are the key properties of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 441.98 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).