N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C30H27Cl2N3O2S — CID 59209105

About N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209105) has the molecular formula C30H27Cl2N3O2S and a molecular weight of 564.54 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 59209105
• Molecular Formula: C30H27Cl2N3O2S
• Molecular Weight: 564.54 g/mol
• Exact Mass: 563.12
• IUPAC Name: N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1csc(C2CCN(C(=O)CCc3ccccc3Cl)CC2)n1
• InChI: InChI=1S/C30H27Cl2N3O2S/c31-23-12-9-20(10-13-23)24-6-2-4-8-26(24)33-29(37)27-19-38-30(34-27)22-15-17-35(18-16-22)28(36)14-11-21-5-1-3-7-25(21)32/h1-10,12-13,19,22H,11,14-18H2,(H,33,37)
• InChIKey: ISBUBLXUUCBHHM-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.54
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209105) is N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1csc(C2CCN(C(=O)CCc3ccccc3Cl)CC2)n1.

What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is ISBUBLXUUCBHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O2S/c31-23-12-9-20(10-13-23)24-6-2-4-8-26(24)33-29(37)27-19-38-30(34-27)22-15-17-35(18-16-22)28(36)14-11-21-5-1-3-7-25(21)32/h1-10,12-13,19,22H,11,14-18H2,(H,33,37).

What are the key properties of N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 564.54 g/mol, XLogP of 7.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).