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

C27H30F3N5O2S — CID 66795913

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

N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66795913) has the molecular formula C27H30F3N5O2S and a molecular weight of 545.63 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 66795913
• Molecular Formula: C27H30F3N5O2S
• Molecular Weight: 545.63 g/mol
• Exact Mass: 545.21
• IUPAC Name: N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3c4ccccc4CC3C)cs2)CC1
• InChI: InChI=1S/C27H30F3N5O2S/c1-16-12-19-6-4-5-7-20(19)24(16)33(3)26(37)21-15-38-25(31-21)18-8-10-34(11-9-18)23(36)14-35-17(2)13-22(32-35)27(28,29)30/h4-7,13,15-16,18,24H,8-12,14H2,1-3H3
• InChIKey: TYUSHMGUSVZYLV-UHFFFAOYSA-N
• XLogP: 5.08
• 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	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 66795913) is N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3c4ccccc4CC3C)cs2)CC1.

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

The InChIKey is TYUSHMGUSVZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O2S/c1-16-12-19-6-4-5-7-20(19)24(16)33(3)26(37)21-15-38-25(31-21)18-8-10-34(11-9-18)23(36)14-35-17(2)13-22(32-35)27(28,29)30/h4-7,13,15-16,18,24H,8-12,14H2,1-3H3.

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

N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66795913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).