2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C26H26F3N3O4S — CID 3689654

About 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 3689654) has the molecular formula C26H26F3N3O4S and a molecular weight of 533.57 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3689654
• Molecular Formula: C26H26F3N3O4S
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.16
• IUPAC Name: 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4cccc(OC(F)(F)F)c4)cs3)CC2)cc1
• InChI: InChI=1S/C26H26F3N3O4S/c1-16(2)35-20-8-6-18(7-9-20)25(34)32-12-10-17(11-13-32)24-31-22(15-37-24)23(33)30-19-4-3-5-21(14-19)36-26(27,28)29/h3-9,14-17H,10-13H2,1-2H3,(H,30,33)
• InChIKey: ZOIAZACPPRJHHD-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 3689654) is 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4cccc(OC(F)(F)F)c4)cs3)CC2)cc1.

What is the InChIKey of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZOIAZACPPRJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4S/c1-16(2)35-20-8-6-18(7-9-20)25(34)32-12-10-17(11-13-32)24-31-22(15-37-24)23(33)30-19-4-3-5-21(14-19)36-26(27,28)29/h3-9,14-17H,10-13H2,1-2H3,(H,30,33).

What are the key properties of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 533.57 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3689654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).