(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H10FNO4S — CID 115298473

IUPAC(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H10FNO4S/c12-6-1-2-9(14)7(3-6)10(15)13-5-18-4-8(13)11(16)17/h1-3,8,14H,4-5H2,(H,16,17)/t8-/m0/s1
InChIKeyISUBYJNIVCMCMN-QMMMGPOBSA-N
MW271.27 g/mol
LogP1.13
Rot. Bonds2

About (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 115298473) has the molecular formula C11H10FNO4S and a molecular weight of 271.27 g/mol. Its IUPAC name is (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID115298473
Molecular FormulaC11H10FNO4S
Molecular Weight271.27 g/mol
Exact Mass271.03
IUPAC Name(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H10FNO4S/c12-6-1-2-9(14)7(3-6)10(15)13-5-18-4-8(13)11(16)17/h1-3,8,14H,4-5H2,(H,16,17)/t8-/m0/s1
InChIKeyISUBYJNIVCMCMN-QMMMGPOBSA-N
XLogP1.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172251
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
(4R)-3-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143467
(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 115299119
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 115298473) is (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ISUBYJNIVCMCMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10FNO4S/c12-6-1-2-9(14)7(3-6)10(15)13-5-18-4-8(13)11(16)17/h1-3,8,14H,4-5H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 115298473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).