(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid

C33H43F4N3O7S — CID 24896459

About (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid

(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 24896459) has the molecular formula C33H43F4N3O7S and a molecular weight of 701.78 g/mol. Its IUPAC name is (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

• Compound Name: (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid
• PubChem CID: 24896459
• Molecular Formula: C33H43F4N3O7S
• Molecular Weight: 701.78 g/mol
• Exact Mass: 701.28
• IUPAC Name: (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid
• SMILES: CCCCCCCCOc1ccc(N(C(=O)O)c2nc(-c3cccnc3)c(F)s2)c(CCOCCOCCOCCOC)c1C(F)(F)F
• InChI: InChI=1S/C33H43F4N3O7S/c1-3-4-5-6-7-8-15-47-27-12-11-26(40(32(41)42)31-39-29(30(34)48-31)24-10-9-14-38-23-24)25(28(27)33(35,36)37)13-16-44-19-20-46-22-21-45-18-17-43-2/h9-12,14,23H,3-8,13,15-22H2,1-2H3,(H,41,42)
• InChIKey: GOVLBSRGLJXYTK-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 112.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.78
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid?

The IUPAC name of (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid (CID 24896459) is (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid.

What is the SMILES notation for (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid?

The canonical SMILES for (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid is CCCCCCCCOc1ccc(N(C(=O)O)c2nc(-c3cccnc3)c(F)s2)c(CCOCCOCCOCCOC)c1C(F)(F)F.

What is the InChIKey of (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid?

The InChIKey is GOVLBSRGLJXYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F4N3O7S/c1-3-4-5-6-7-8-15-47-27-12-11-26(40(32(41)42)31-39-29(30(34)48-31)24-10-9-14-38-23-24)25(28(27)33(35,36)37)13-16-44-19-20-46-22-21-45-18-17-43-2/h9-12,14,23H,3-8,13,15-22H2,1-2H3,(H,41,42).

What are the key properties of (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid?

(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 701.78 g/mol, XLogP of 8.16, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-octoxy-3-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 24896459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).