methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate

C18H15F2NO3S — CID 3399752

IUPACmethyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H15F2NO3S/c1-24-18(23)12-4-2-11(3-5-12)17-21(16(22)10-25-17)9-13-6-7-14(19)8-15(13)20/h2-8,17H,9-10H2,1H3
InChIKeyVEFIJRIKXYRMOS-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate

methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate (PubChem CID 3399752) has the molecular formula C18H15F2NO3S and a molecular weight of 363.39 g/mol. Its IUPAC name is methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
PubChem CID3399752
Molecular FormulaC18H15F2NO3S
Molecular Weight363.39 g/mol
Exact Mass363.07
IUPAC Namemethyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H15F2NO3S/c1-24-18(23)12-4-2-11(3-5-12)17-21(16(22)10-25-17)9-13-6-7-14(19)8-15(13)20/h2-8,17H,9-10H2,1H3
InChIKeyVEFIJRIKXYRMOS-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[(2,6-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3716378
methyl 4-[4-oxo-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3317359
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3676662
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418
methyl 4-[3-(2-acetamidoethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 5220379
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
methyl 4-[3-(2-tert-butylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3743052
N-(2,4-difluorophenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 5203194
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 74229341
methyl 4-[4-oxo-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3712596

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate (CID 3399752) is methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate is COC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(F)cc2F)cc1.
What is the InChIKey of methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The InChIKey is VEFIJRIKXYRMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S/c1-24-18(23)12-4-2-11(3-5-12)17-21(16(22)10-25-17)9-13-6-7-14(19)8-15(13)20/h2-8,17H,9-10H2,1H3.
What are the key properties of methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate has a molecular weight of 363.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate is sourced from PubChem (CID 3399752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).