3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

C14H11F2NOS2 — CID 3872455

IUPAC3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NOS2/c15-10-4-3-9(6-11(10)16)7-17-13(18)8-20-14(17)12-2-1-5-19-12/h1-6,14H,7-8H2
InChIKeyMCMFXLTYVQGTKP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.80
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 3872455) has the molecular formula C14H11F2NOS2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID3872455
Molecular FormulaC14H11F2NOS2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NOS2/c15-10-4-3-9(6-11(10)16)7-17-13(18)8-20-14(17)12-2-1-5-19-12/h1-6,14H,7-8H2
InChIKeyMCMFXLTYVQGTKP-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 3872455) is 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccs2)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MCMFXLTYVQGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS2/c15-10-4-3-9(6-11(10)16)7-17-13(18)8-20-14(17)12-2-1-5-19-12/h1-6,14H,7-8H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 311.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3872455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).