2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate

C24H33F2N3O8S — CID 155011874

About 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate

2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate (PubChem CID 155011874) has the molecular formula C24H33F2N3O8S and a molecular weight of 561.60 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
• PubChem CID: 155011874
• Molecular Formula: C24H33F2N3O8S
• Molecular Weight: 561.60 g/mol
• Exact Mass: 561.20
• IUPAC Name: 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
• SMILES: NC(=O)OCCOCCOCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
• InChI: InChI=1S/C24H33F2N3O8S/c25-19-2-1-18(20-17-38-24(28-20)29-3-5-31-6-4-29)22(21(19)26)36-15-13-34-11-9-32-7-8-33-10-12-35-14-16-37-23(27)30/h1-2,17H,3-16H2,(H2,27,30)
• InChIKey: LUEDKRTZILKMNV-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 123.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.60
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate?

The IUPAC name of 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate (CID 155011874) is 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate?

The canonical SMILES for 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate is NC(=O)OCCOCCOCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.

What is the InChIKey of 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate?

The InChIKey is LUEDKRTZILKMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O8S/c25-19-2-1-18(20-17-38-24(28-20)29-3-5-31-6-4-29)22(21(19)26)36-15-13-34-11-9-32-7-8-33-10-12-35-14-16-37-23(27)30/h1-2,17H,3-16H2,(H2,27,30).

What are the key properties of 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate?

2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate has a molecular weight of 561.60 g/mol, XLogP of 2.47, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate is sourced from PubChem (CID 155011874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).