3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H15BrN2O4S — CID 63780246

IUPAC3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(Br)cc1NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H15BrN2O4S/c1-7-16(10(6-21-7)12(17)18)13(19)15-9-5-8(14)3-4-11(9)20-2/h3-5,7,10H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYPAVQWZRQUVNAN-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.84
Rot. Bonds3

About 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780246) has the molecular formula C13H15BrN2O4S and a molecular weight of 375.24 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780246
Molecular FormulaC13H15BrN2O4S
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(Br)cc1NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H15BrN2O4S/c1-7-16(10(6-21-7)12(17)18)13(19)15-9-5-8(14)3-4-11(9)20-2/h3-5,7,10H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYPAVQWZRQUVNAN-UHFFFAOYSA-N
XLogP2.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237654
3-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107614404
3-[2-(2,4-dibromophenoxy)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792828
3-[(2,4-dichlorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793122
3-(3-fluoro-4-methoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792333
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792492
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780246) is 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is COc1ccc(Br)cc1NC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YPAVQWZRQUVNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4S/c1-7-16(10(6-21-7)12(17)18)13(19)15-9-5-8(14)3-4-11(9)20-2/h3-5,7,10H,6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 375.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).