2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C30H20F4N4O4S — CID 58263837

About 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 58263837) has the molecular formula C30H20F4N4O4S and a molecular weight of 608.57 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 58263837
• Molecular Formula: C30H20F4N4O4S
• Molecular Weight: 608.57 g/mol
• Exact Mass: 608.11
• IUPAC Name: 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)c5cnc(F)s5)c(C(F)(F)F)c4)cccc23)ccn1
• InChI: InChI=1S/C30H20F4N4O4S/c1-35-27(40)23-14-17(10-11-36-23)42-25-7-3-4-18-19(5-2-6-20(18)25)24(39)13-16-8-9-22(21(12-16)30(32,33)34)38-28(41)26-15-37-29(31)43-26/h2-12,14-15H,13H2,1H3,(H,35,40)(H,38,41)
• InChIKey: JHIYXZVLXRQQAQ-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.57
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 58263837) is 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)c5cnc(F)s5)c(C(F)(F)F)c4)cccc23)ccn1.

What is the InChIKey of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is JHIYXZVLXRQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F4N4O4S/c1-35-27(40)23-14-17(10-11-36-23)42-25-7-3-4-18-19(5-2-6-20(18)25)24(39)13-16-8-9-22(21(12-16)30(32,33)34)38-28(41)26-15-37-29(31)43-26/h2-12,14-15H,13H2,1H3,(H,35,40)(H,38,41).

What are the key properties of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 608.57 g/mol, XLogP of 6.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58263837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).