(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H9FN2O5S — CID 61144842

IUPAC(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9FN2O5S/c12-7-2-1-6(3-8(7)14(18)19)10(15)13-5-20-4-9(13)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyUNKWYHOXVMOJEY-VIFPVBQESA-N
MW300.27 g/mol
LogP1.33
Rot. Bonds3

About (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144842) has the molecular formula C11H9FN2O5S and a molecular weight of 300.27 g/mol. Its IUPAC name is (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144842
Molecular FormulaC11H9FN2O5S
Molecular Weight300.27 g/mol
Exact Mass300.02
IUPAC Name(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9FN2O5S/c12-7-2-1-6(3-8(7)14(18)19)10(15)13-5-20-4-9(13)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyUNKWYHOXVMOJEY-VIFPVBQESA-N
XLogP1.33
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 11639536
(4R)-3-(2-chloro-6-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63659636
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
3-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479
4-(4-fluoro-3-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 82901000
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359320

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61144842) is (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UNKWYHOXVMOJEY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9FN2O5S/c12-7-2-1-6(3-8(7)14(18)19)10(15)13-5-20-4-9(13)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).