3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H11N3O3S — CID 43664825

IUPAC3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1nccc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-11-6(2-3-10-11)8(13)12-5-16-4-7(12)9(14)15/h2-3,7H,4-5H2,1H3,(H,14,15)
InChIKeyPCFXJVIAZCKMJO-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.02
Rot. Bonds2

About 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43664825) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43664825
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1nccc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-11-6(2-3-10-11)8(13)12-5-16-4-7(12)9(14)15/h2-3,7H,4-5H2,1H3,(H,14,15)
InChIKeyPCFXJVIAZCKMJO-UHFFFAOYSA-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

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971313
(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28742709
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306
3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102810088
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
(4R)-3-(4-chloro-1-ethylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144463

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43664825) is 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cn1nccc1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PCFXJVIAZCKMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-11-6(2-3-10-11)8(13)12-5-16-4-7(12)9(14)15/h2-3,7H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-methylpyrazole-3-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 3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43664825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).