propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate

C13H16FNO2S — CID 5170925

IUPACpropan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C13H16FNO2S/c1-8(2)17-13(16)11-7-18-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11-12,15H,7H2,1-2H3
InChIKeyOAKJMCGIXCXSQJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.48
Rot. Bonds3

About propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate

propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 5170925) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID5170925
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Namepropan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C13H16FNO2S/c1-8(2)17-13(16)11-7-18-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11-12,15H,7H2,1-2H3
InChIKeyOAKJMCGIXCXSQJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 115524578
N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 162660625
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
ethyl (2R,4R)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000704
(2R,4S)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7018530
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490
2-phenyl-1,3-thiazolidine-4-carbohydrazide
CID 3064949

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (CID 5170925) is propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is CC(C)OC(=O)C1CSC(c2ccc(F)cc2)N1.
What is the InChIKey of propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is OAKJMCGIXCXSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-8(2)17-13(16)11-7-18-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11-12,15H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 5170925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).