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

C27H32F3N5O2S — CID 66622073

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

3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide (PubChem CID 66622073) has the molecular formula C27H32F3N5O2S and a molecular weight of 547.65 g/mol. Its IUPAC name is 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide
• PubChem CID: 66622073
• Molecular Formula: C27H32F3N5O2S
• Molecular Weight: 547.65 g/mol
• Exact Mass: 547.22
• IUPAC Name: 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C2SC=C(C(=O)NC3CCCc4ccccc43)N2C)CC1
• InChI: InChI=1S/C27H32F3N5O2S/c1-17-14-23(27(28,29)30)32-35(17)15-24(36)34-12-10-19(11-13-34)26-33(2)22(16-38-26)25(37)31-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,14,16,19,21,26H,5,7,9-13,15H2,1-2H3,(H,31,37)
• InChIKey: HSQXUYXUXRNPBL-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.65
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide (CID 66622073) is 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C2SC=C(C(=O)NC3CCCc4ccccc43)N2C)CC1.

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

The InChIKey is HSQXUYXUXRNPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O2S/c1-17-14-23(27(28,29)30)32-35(17)15-24(36)34-12-10-19(11-13-34)26-33(2)22(16-38-26)25(37)31-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,14,16,19,21,26H,5,7,9-13,15H2,1-2H3,(H,31,37).

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

3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide has a molecular weight of 547.65 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66622073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).