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

C11H17N3O2S — CID 25220526

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1nc(C)c(C2NC(C(=O)O)CS2)c1C
InChIInChI=1S/C11H17N3O2S/c1-4-14-7(3)9(6(2)13-14)10-12-8(5-17-10)11(15)16/h8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyXTLKSRMOLPDKMM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.31
Rot. Bonds3

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

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 25220526) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID25220526
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1nc(C)c(C2NC(C(=O)O)CS2)c1C
InChIInChI=1S/C11H17N3O2S/c1-4-14-7(3)9(6(2)13-14)10-12-8(5-17-10)11(15)16/h8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyXTLKSRMOLPDKMM-UHFFFAOYSA-N
XLogP1.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 25220526) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is CCn1nc(C)c(C2NC(C(=O)O)CS2)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XTLKSRMOLPDKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-14-7(3)9(6(2)13-14)10-12-8(5-17-10)11(15)16/h8,10,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 25220526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).