3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

C16H20F3NO3S — CID 3343235

IUPAC3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H20F3NO3S/c1-2-8-22-9-4-7-20-14(21)11-24-15(20)12-5-3-6-13(10-12)23-16(17,18)19/h3,5-6,10,15H,2,4,7-9,11H2,1H3
InChIKeyMEXQFSMZNFULKY-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.98
Rot. Bonds8

About 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3343235) has the molecular formula C16H20F3NO3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3343235
Molecular FormulaC16H20F3NO3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H20F3NO3S/c1-2-8-22-9-4-7-20-14(21)11-24-15(20)12-5-3-6-13(10-12)23-16(17,18)19/h3,5-6,10,15H,2,4,7-9,11H2,1H3
InChIKeyMEXQFSMZNFULKY-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3343235) is 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is CCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is MEXQFSMZNFULKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3S/c1-2-8-22-9-4-7-20-14(21)11-24-15(20)12-5-3-6-13(10-12)23-16(17,18)19/h3,5-6,10,15H,2,4,7-9,11H2,1H3.
What are the key properties of 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 363.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3343235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).