3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile

C12H11FN2OS — CID 42612293

IUPAC3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
SMILESN#CCCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c13-10-4-2-9(3-5-10)12-15(7-1-6-14)11(16)8-17-12/h2-5,12H,1,7-8H2
InChIKeyXESHMDDCZBCJBQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.31
Rot. Bonds3

About 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile

3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile (PubChem CID 42612293) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
PubChem CID42612293
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
SMILESN#CCCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c13-10-4-2-9(3-5-10)12-15(7-1-6-14)11(16)8-17-12/h2-5,12H,1,7-8H2
InChIKeyXESHMDDCZBCJBQ-UHFFFAOYSA-N
XLogP2.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 5146892
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
CID 42814572
3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanenitrile
CID 4987874
4-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzonitrile
CID 3308500
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile (CID 42612293) is 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile is N#CCCN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile?
The InChIKey is XESHMDDCZBCJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-10-4-2-9(3-5-10)12-15(7-1-6-14)11(16)8-17-12/h2-5,12H,1,7-8H2.
What are the key properties of 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile?
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile has a molecular weight of 250.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile is sourced from PubChem (CID 42612293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).