2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

C24H24ClN3O3S — CID 55892330

About 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55892330) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 55892330
• Molecular Formula: C24H24ClN3O3S
• Molecular Weight: 469.99 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1
• InChI: InChI=1S/C24H24ClN3O3S/c1-16-22(32-21(26-16)15-31-20-10-8-18(25)9-11-20)23(29)27-19-7-5-6-17(14-19)24(30)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13,15H2,1H3,(H,27,29)
• InChIKey: JMKLDGPMONLFRS-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.99
LogP ≤ 5	5.56
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-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (CID 55892330) is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1.

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

The InChIKey is JMKLDGPMONLFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-16-22(32-21(26-16)15-31-20-10-8-18(25)9-11-20)23(29)27-19-7-5-6-17(14-19)24(30)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13,15H2,1H3,(H,27,29).

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

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 5.56, 6 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-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55892330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).