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

C27H30F3N5O2S — CID 142709166

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

N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide (PubChem CID 142709166) has the molecular formula C27H30F3N5O2S and a molecular weight of 545.63 g/mol. Its IUPAC name is N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide
• PubChem CID: 142709166
• Molecular Formula: C27H30F3N5O2S
• Molecular Weight: 545.63 g/mol
• Exact Mass: 545.21
• IUPAC Name: N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cc(C(=O)N(C)C3CCCc4ccccc43)ns2)CC1
• InChI: InChI=1S/C27H30F3N5O2S/c1-17-14-24(27(28,29)30)31-35(17)16-25(36)34-12-10-19(11-13-34)23-15-21(32-38-23)26(37)33(2)22-9-5-7-18-6-3-4-8-20(18)22/h3-4,6,8,14-15,19,22H,5,7,9-13,16H2,1-2H3
• InChIKey: UZGXCLDVWBQHBX-UHFFFAOYSA-N
• XLogP: 5.22
• 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	545.63
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide (CID 142709166) is N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide.

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

The canonical SMILES for N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cc(C(=O)N(C)C3CCCc4ccccc43)ns2)CC1.

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

The InChIKey is UZGXCLDVWBQHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O2S/c1-17-14-24(27(28,29)30)31-35(17)16-25(36)34-12-10-19(11-13-34)23-15-21(32-38-23)26(37)33(2)22-9-5-7-18-6-3-4-8-20(18)22/h3-4,6,8,14-15,19,22H,5,7,9-13,16H2,1-2H3.

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

N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 142709166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).