2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C15H12FNO4S — CID 42727747

IUPAC2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccco1
InChIInChI=1S/C15H12FNO4S/c16-10-5-3-9(4-6-10)14-17(11(8-22-14)15(19)20)13(18)12-2-1-7-21-12/h1-7,11,14H,8H2,(H,19,20)
InChIKeyVIWSZQLSUVFRJI-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42727747) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42727747
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccco1
InChIInChI=1S/C15H12FNO4S/c16-10-5-3-9(4-6-10)14-17(11(8-22-14)15(19)20)13(18)12-2-1-7-21-12/h1-7,11,14H,8H2,(H,19,20)
InChIKeyVIWSZQLSUVFRJI-UHFFFAOYSA-N
XLogP2.76
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
3-(3-chloropropanoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727794
(2S,4R)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051065
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477
3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 3627194
(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809630
butyl 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729576
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 42727747) is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VIWSZQLSUVFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4S/c16-10-5-3-9(4-6-10)14-17(11(8-22-14)15(19)20)13(18)12-2-1-7-21-12/h1-7,11,14H,8H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42727747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).