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

C8H11N3O2S — CID 28600201

IUPAC(2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc([C@@H]2N[C@H](C(=O)O)CS2)cn1
InChIInChI=1S/C8H11N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-3,6-7,10H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyURGOHJSFVQDBFR-NKWVEPMBSA-N
MW213.26 g/mol
LogP0.21
Rot. Bonds2

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

(2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28600201) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28600201
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc([C@@H]2N[C@H](C(=O)O)CS2)cn1
InChIInChI=1S/C8H11N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-3,6-7,10H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyURGOHJSFVQDBFR-NKWVEPMBSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-2-(1-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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 28600201) is (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1cc([C@@H]2N[C@H](C(=O)O)CS2)cn1.
What is the InChIKey of (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is URGOHJSFVQDBFR-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-3,6-7,10H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28600201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).