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

C27H30F3N5O2S — CID 118364921

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

N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118364921) has the molecular formula C27H30F3N5O2S and a molecular weight of 545.63 g/mol. Its IUPAC name is N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 118364921
• Molecular Formula: C27H30F3N5O2S
• Molecular Weight: 545.63 g/mol
• Exact Mass: 545.21
• IUPAC Name: N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)c1sc(C2CCNCC2)nc1C(=O)N(C)[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C27H30F3N5O2S/c1-16-14-22(27(28,29)30)33-35(16)15-21(36)24-23(32-25(38-24)18-10-12-31-13-11-18)26(37)34(2)20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,14,18,20,31H,5,7,9-13,15H2,1-2H3/t20-/m1/s1
• InChIKey: PJJWXBICDVUUAO-HXUWFJFHSA-N
• XLogP: 5.17
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.63
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (CID 118364921) is N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)c1sc(C2CCNCC2)nc1C(=O)N(C)[C@@H]1CCCc2ccccc21.

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

The InChIKey is PJJWXBICDVUUAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H30F3N5O2S/c1-16-14-22(27(28,29)30)33-35(16)15-21(36)24-23(32-25(38-24)18-10-12-31-13-11-18)26(37)34(2)20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,14,18,20,31H,5,7,9-13,15H2,1-2H3/t20-/m1/s1.

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

N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2-piperidin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118364921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).