2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

C26H27ClF3N5O2S — CID 69118344

About 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 69118344) has the molecular formula C26H27ClF3N5O2S and a molecular weight of 566.05 g/mol. Its IUPAC name is 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 69118344
• Molecular Formula: C26H27ClF3N5O2S
• Molecular Weight: 566.05 g/mol
• Exact Mass: 565.15
• IUPAC Name: 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
• SMILES: CN(C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3Cl)CC2)n1)C1CCCc2ccccc21
• InChI: InChI=1S/C26H27ClF3N5O2S/c1-33(20-8-4-6-16-5-2-3-7-18(16)20)25(37)19-15-38-24(31-19)17-9-11-34(12-10-17)23(36)14-35-22(27)13-21(32-35)26(28,29)30/h2-3,5,7,13,15,17,20H,4,6,8-12,14H2,1H3
• InChIKey: BPTXHBNOTZOSQU-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.05
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (CID 69118344) is 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3Cl)CC2)n1)C1CCCc2ccccc21.

What is the InChIKey of 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is BPTXHBNOTZOSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N5O2S/c1-33(20-8-4-6-16-5-2-3-7-18(16)20)25(37)19-15-38-24(31-19)17-9-11-34(12-10-17)23(36)14-35-22(27)13-21(32-35)26(28,29)30/h2-3,5,7,13,15,17,20H,4,6,8-12,14H2,1H3.

What are the key properties of 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 566.05 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69118344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).