2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine

C26H30F3N5O3S — CID 171923658

About 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine

2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 171923658) has the molecular formula C26H30F3N5O3S and a molecular weight of 549.62 g/mol. Its IUPAC name is 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine
• PubChem CID: 171923658
• Molecular Formula: C26H30F3N5O3S
• Molecular Weight: 549.62 g/mol
• Exact Mass: 549.20
• IUPAC Name: 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1.NC1CCCc2ccccc21
• InChI: InChI=1S/C16H17F3N4O3S.C10H13N/c1-9-6-12(16(17,18)19)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-11(8-27-14)15(25)26;11-10-7-3-5-8-4-1-2-6-9(8)10/h6,8,10H,2-5,7H2,1H3,(H,25,26);1-2,4,6,10H,3,5,7,11H2
• InChIKey: AKRGSZPTXKWFQS-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 114.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.62
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine (CID 171923658) is 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine.

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

The canonical SMILES for 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1.NC1CCCc2ccccc21.

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

The InChIKey is AKRGSZPTXKWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3S.C10H13N/c1-9-6-12(16(17,18)19)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-11(8-27-14)15(25)26;11-10-7-3-5-8-4-1-2-6-9(8)10/h6,8,10H,2-5,7H2,1H3,(H,25,26);1-2,4,6,10H,3,5,7,11H2.

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

2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 549.62 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid;1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 171923658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).