(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H11N3O3S — CID 107971313

IUPAC(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnc(C(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C9H11N3O3S/c1-11-2-6(10-4-11)8(13)12-5-16-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyMMGSITDZYIWGBO-ZETCQYMHSA-N
MW241.27 g/mol
LogP0.02
Rot. Bonds2

About (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107971313) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107971313
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnc(C(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C9H11N3O3S/c1-11-2-6(10-4-11)8(13)12-5-16-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyMMGSITDZYIWGBO-ZETCQYMHSA-N
XLogP0.02
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-(1-methylimidazole-4-carbonyl)-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

(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65214603
3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114254983
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102810088
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373
(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28742709
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145277
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
3-(1-phenyltriazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359250

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 107971313) is (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cn1cnc(C(=O)N2CSC[C@H]2C(=O)O)c1.
What is the InChIKey of (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MMGSITDZYIWGBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-11-2-6(10-4-11)8(13)12-5-16-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107971313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).