(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C10H15N3O2S — CID 51673907

IUPAC(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1cc([C@@H]2N[C@@H](C(=O)O)CS2)c(C)n1
InChIInChI=1S/C10H15N3O2S/c1-3-13-4-7(6(2)12-13)9-11-8(5-16-9)10(14)15/h4,8-9,11H,3,5H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyKKLBTWRDGHHNJP-RKDXNWHRSA-N
MW241.32 g/mol
LogP1.00
Rot. Bonds3

About (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 51673907) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID51673907
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1cc([C@@H]2N[C@@H](C(=O)O)CS2)c(C)n1
InChIInChI=1S/C10H15N3O2S/c1-3-13-4-7(6(2)12-13)9-11-8(5-16-9)10(14)15/h4,8-9,11H,3,5H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyKKLBTWRDGHHNJP-RKDXNWHRSA-N
XLogP1.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-2-(1-ethyl-3-methylpyrazol-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-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393
2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270178
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 739068
(2S,4S)-2-(3-ethoxy-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 866464
(2R,4R)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 817644
(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107774027
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 51673907) is (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is CCn1cc([C@@H]2N[C@@H](C(=O)O)CS2)c(C)n1.
What is the InChIKey of (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KKLBTWRDGHHNJP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-13-4-7(6(2)12-13)9-11-8(5-16-9)10(14)15/h4,8-9,11H,3,5H2,1-2H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 51673907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).