(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C7H9BrN4O2S — CID 130586615

IUPAC(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1nnc(Br)c1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H9BrN4O2S/c1-12-4(5(8)10-11-12)6-9-3(2-15-6)7(13)14/h3,6,9H,2H2,1H3,(H,13,14)/t3-,6?/m1/s1
InChIKeyAGQRAZPHXOWEOB-HODUVHNASA-N
MW293.15 g/mol
LogP0.37
Rot. Bonds2

About (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130586615) has the molecular formula C7H9BrN4O2S and a molecular weight of 293.15 g/mol. Its IUPAC name is (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID130586615
Molecular FormulaC7H9BrN4O2S
Molecular Weight293.15 g/mol
Exact Mass291.96
IUPAC Name(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1nnc(Br)c1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H9BrN4O2S/c1-12-4(5(8)10-11-12)6-9-3(2-15-6)7(13)14/h3,6,9H,2H2,1H3,(H,13,14)/t3-,6?/m1/s1
InChIKeyAGQRAZPHXOWEOB-HODUVHNASA-N
XLogP0.37
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(4S)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773729
(4R)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 79583895
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 107774076
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130592481
(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107774027
2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270135

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 130586615) is (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1nnc(Br)c1C1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AGQRAZPHXOWEOB-HODUVHNASA-N. The full InChI is InChI=1S/C7H9BrN4O2S/c1-12-4(5(8)10-11-12)6-9-3(2-15-6)7(13)14/h3,6,9H,2H2,1H3,(H,13,14)/t3-,6?/m1/s1.
What are the key properties of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130586615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).