2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C10H15N3O2S — CID 25220523

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C1NC(C(=O)O)CS1
InChIInChI=1S/C10H15N3O2S/c1-5-8(6(2)13(3)12-5)9-11-7(4-16-9)10(14)15/h7,9,11H,4H2,1-3H3,(H,14,15)
InChIKeyPIMSTSHCQXFPGE-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.83
Rot. Bonds2

About 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 25220523) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID25220523
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C1NC(C(=O)O)CS1
InChIInChI=1S/C10H15N3O2S/c1-5-8(6(2)13(3)12-5)9-11-7(4-16-9)10(14)15/h7,9,11H,4H2,1-3H3,(H,14,15)
InChIKeyPIMSTSHCQXFPGE-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 25220523) is 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cc1nn(C)c(C)c1C1NC(C(=O)O)CS1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PIMSTSHCQXFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5-8(6(2)13(3)12-5)9-11-7(4-16-9)10(14)15/h7,9,11H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 25220523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).