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

C14H11F2NOS2 — CID 3447605

IUPAC3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccsc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NOS2/c15-11-2-1-9(5-12(11)16)6-17-13(18)8-20-14(17)10-3-4-19-7-10/h1-5,7,14H,6,8H2
InChIKeyYLGYUCKIKFGHRE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.80
Rot. Bonds3

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

3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one (PubChem CID 3447605) 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-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
PubChem CID3447605
Molecular FormulaC14H11F2NOS2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccsc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NOS2/c15-11-2-1-9(5-12(11)16)6-17-13(18)8-20-14(17)10-3-4-19-7-10/h1-5,7,14H,6,8H2
InChIKeyYLGYUCKIKFGHRE-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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Related Compounds

3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3682436
3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 3368532
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3858526
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
N-(2-methoxyethyl)-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)acetamide
CID 24712221
2-(2,6-difluorophenyl)-3-(naphthalen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 87150899
2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3676066
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 3840747
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one (CID 3447605) is 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccsc2)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The InChIKey is YLGYUCKIKFGHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS2/c15-11-2-1-9(5-12(11)16)6-17-13(18)8-20-14(17)10-3-4-19-7-10/h1-5,7,14H,6,8H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-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-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3447605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).