N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C26H27F4N7O2S — CID 67293734

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 67293734) has the molecular formula C26H27F4N7O2S and a molecular weight of 577.61 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 67293734
• Molecular Formula: C26H27F4N7O2S
• Molecular Weight: 577.61 g/mol
• Exact Mass: 577.19
• IUPAC Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C26H27F4N7O2S/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)
• InChIKey: HANFHMOPDWXUEA-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 93.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.61
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 67293734) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is HANFHMOPDWXUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N7O2S/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39).

What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 577.61 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67293734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).