fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate

C20H17F2NO3S2 — CID 143224553

IUPACfluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate
SMILESCC(Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2)cs1)C(=O)OF
InChIInChI=1S/C20H17F2NO3S2/c1-13(19(24)26-22)28-20-23-17(12-27-20)10-11-25-18-8-4-15(5-9-18)14-2-6-16(21)7-3-14/h2-9,12-13H,10-11H2,1H3
InChIKeyMEWOCNIDVPDMKM-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.48
Rot. Bonds8

About fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate

fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate (PubChem CID 143224553) has the molecular formula C20H17F2NO3S2 and a molecular weight of 421.49 g/mol. Its IUPAC name is fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate.

Molecular Properties

Compound Namefluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate
PubChem CID143224553
Molecular FormulaC20H17F2NO3S2
Molecular Weight421.49 g/mol
Exact Mass421.06
IUPAC Namefluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate
SMILESCC(Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2)cs1)C(=O)OF
InChIInChI=1S/C20H17F2NO3S2/c1-13(19(24)26-22)28-20-23-17(12-27-20)10-11-25-18-8-4-15(5-9-18)14-2-6-16(21)7-3-14/h2-9,12-13H,10-11H2,1H3
InChIKeyMEWOCNIDVPDMKM-UHFFFAOYSA-N
XLogP5.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate?
The IUPAC name of fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate (CID 143224553) is fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate.
What is the SMILES notation for fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate?
The canonical SMILES for fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate is CC(Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2)cs1)C(=O)OF.
What is the InChIKey of fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate?
The InChIKey is MEWOCNIDVPDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S2/c1-13(19(24)26-22)28-20-23-17(12-27-20)10-11-25-18-8-4-15(5-9-18)14-2-6-16(21)7-3-14/h2-9,12-13H,10-11H2,1H3.
What are the key properties of fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate?
fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate has a molecular weight of 421.49 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[[4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoate is sourced from PubChem (CID 143224553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).