3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C12H13BrN2O3S — CID 55237654

IUPAC3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H13BrN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-5-3-2-4-8(9)13/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDXQHCMHHCTGNY-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.83
Rot. Bonds2

About 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55237654) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55237654
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H13BrN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-5-3-2-4-8(9)13/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDXQHCMHHCTGNY-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781929
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107614404
3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780246
3-[(2,4-dichlorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793122
2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780462
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 134120823
2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781609
propyl 3-[(2-bromophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745590
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780714

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 55237654) is 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Nc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UDXQHCMHHCTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-5-3-2-4-8(9)13/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 345.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55237654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).