(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H12BrFN2O3S — CID 107593278

IUPAC(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(F)c(Br)cc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H12BrFN2O3S/c1-6-2-8(14)7(13)3-9(6)15-12(19)16-5-20-4-10(16)11(17)18/h2-3,10H,4-5H2,1H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyOGJSXSQFWCXVRS-JTQLQIEISA-N
MW363.21 g/mol
LogP2.89
Rot. Bonds2

About (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107593278) has the molecular formula C12H12BrFN2O3S and a molecular weight of 363.21 g/mol. Its IUPAC name is (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107593278
Molecular FormulaC12H12BrFN2O3S
Molecular Weight363.21 g/mol
Exact Mass361.97
IUPAC Name(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(F)c(Br)cc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H12BrFN2O3S/c1-6-2-8(14)7(13)3-9(6)15-12(19)16-5-20-4-10(16)11(17)18/h2-3,10H,4-5H2,1H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyOGJSXSQFWCXVRS-JTQLQIEISA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681
(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65436999
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[(2,4-dibromo-5-methoxyphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103416236
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 107593278) is (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1cc(F)c(Br)cc1NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OGJSXSQFWCXVRS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12BrFN2O3S/c1-6-2-8(14)7(13)3-9(6)15-12(19)16-5-20-4-10(16)11(17)18/h2-3,10H,4-5H2,1H3,(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 363.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107593278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).