N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C25H25ClF3N3OS — CID 3937376

About N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 3937376) has the molecular formula C25H25ClF3N3OS and a molecular weight of 508.01 g/mol. Its IUPAC name is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
• PubChem CID: 3937376
• Molecular Formula: C25H25ClF3N3OS
• Molecular Weight: 508.01 g/mol
• Exact Mass: 507.14
• IUPAC Name: N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
• SMILES: CC1CCN(Cc2ccc(C(=O)Nc3ncc(Cc4cc(Cl)ccc4C(F)(F)F)s3)cc2)CC1
• InChI: InChI=1S/C25H25ClF3N3OS/c1-16-8-10-32(11-9-16)15-17-2-4-18(5-3-17)23(33)31-24-30-14-21(34-24)13-19-12-20(26)6-7-22(19)25(27,28)29/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,30,31,33)
• InChIKey: NKJGKBGVOPMQAZ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.01
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?

The IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 3937376) is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

What is the SMILES notation for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?

The canonical SMILES for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)Nc3ncc(Cc4cc(Cl)ccc4C(F)(F)F)s3)cc2)CC1.

What is the InChIKey of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?

The InChIKey is NKJGKBGVOPMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3OS/c1-16-8-10-32(11-9-16)15-17-2-4-18(5-3-17)23(33)31-24-30-14-21(34-24)13-19-12-20(26)6-7-22(19)25(27,28)29/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,30,31,33).

What are the key properties of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 508.01 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 3937376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).