(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

C15H12FNO4S — CID 809627

IUPAC(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO4S/c16-11-3-1-9(2-4-11)13(18)17-12(15(19)20)8-22-14(17)10-5-6-21-7-10/h1-7,12,14H,8H2,(H,19,20)/t12-,14-/m1/s1
InChIKeyKCFVGRWKPKRNTB-TZMCWYRMSA-N
MW321.33 g/mol
LogP2.76
Rot. Bonds3

About (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 809627) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID809627
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO4S/c16-11-3-1-9(2-4-11)13(18)17-12(15(19)20)8-22-14(17)10-5-6-21-7-10/h1-7,12,14H,8H2,(H,19,20)/t12-,14-/m1/s1
InChIKeyKCFVGRWKPKRNTB-TZMCWYRMSA-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

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
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
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809634
(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809599
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727747
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (CID 809627) is (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KCFVGRWKPKRNTB-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H12FNO4S/c16-11-3-1-9(2-4-11)13(18)17-12(15(19)20)8-22-14(17)10-5-6-21-7-10/h1-7,12,14H,8H2,(H,19,20)/t12-,14-/m1/s1.
What are the key properties of (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-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 (2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 809627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).