3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H10BrFN2O3S — CID 65436999

IUPAC3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H10BrFN2O3S/c12-7-2-1-6(3-8(7)13)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyXAJUTZSNQRRRLP-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.58
Rot. Bonds2

About 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65436999) has the molecular formula C11H10BrFN2O3S and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID65436999
Molecular FormulaC11H10BrFN2O3S
Molecular Weight349.18 g/mol
Exact Mass347.96
IUPAC Name3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H10BrFN2O3S/c12-7-2-1-6(3-8(7)13)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyXAJUTZSNQRRRLP-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
3-[(4-ethoxy-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103996501
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107593278
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499
(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114222520
4-[(3-fluoro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904708
4-[(4-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904704

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 65436999) is 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XAJUTZSNQRRRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O3S/c12-7-2-1-6(3-8(7)13)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 349.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65436999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).