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

C17H22F3NO3S — CID 3609856

IUPAC3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3S/c1-2-3-9-23-10-5-8-21-15(22)12-25-16(21)13-6-4-7-14(11-13)24-17(18,19)20/h4,6-7,11,16H,2-3,5,8-10,12H2,1H3
InChIKeyDOIBRACLWRJGAZ-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.37
Rot. Bonds9

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

3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3609856) has the molecular formula C17H22F3NO3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3609856
Molecular FormulaC17H22F3NO3S
Molecular Weight377.43 g/mol
Exact Mass377.13
IUPAC Name3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3S/c1-2-3-9-23-10-5-8-21-15(22)12-25-16(21)13-6-4-7-14(11-13)24-17(18,19)20/h4,6-7,11,16H,2-3,5,8-10,12H2,1H3
InChIKeyDOIBRACLWRJGAZ-UHFFFAOYSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.37
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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Related Compounds

2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
CID 2860932
CID 2860932
3-(4-Methoxyphenethyl)-2-methyl-2-p-tolylthiazolidin-4-one
CID 44418140
3-[3-(Dimethylamino)propyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860522
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 118719696
3-Benzyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2840313
2-(2-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3411758
[2-[(3-Methoxyphenyl)methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7605767
3-benzyl-2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-1,3-thiazolidin-4-one
CID 168275550
2-(4-Methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 2872203
Ethyl 2-[4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]propanoate
CID 508439

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3609856) is 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is CCCCOCCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is DOIBRACLWRJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3S/c1-2-3-9-23-10-5-8-21-15(22)12-25-16(21)13-6-4-7-14(11-13)24-17(18,19)20/h4,6-7,11,16H,2-3,5,8-10,12H2,1H3.
What are the key properties of 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 377.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3609856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).