2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C10H14N4O3S — CID 55236868

IUPAC2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Cn1cncn1
InChIInChI=1S/C10H14N4O3S/c1-2-9-14(7(4-18-9)10(16)17)8(15)3-13-6-11-5-12-13/h5-7,9H,2-4H2,1H3,(H,16,17)
InChIKeyDAQQXTMGHCXYFM-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.04
Rot. Bonds4

About 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236868) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236868
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Cn1cncn1
InChIInChI=1S/C10H14N4O3S/c1-2-9-14(7(4-18-9)10(16)17)8(15)3-13-6-11-5-12-13/h5-7,9H,2-4H2,1H3,(H,16,17)
InChIKeyDAQQXTMGHCXYFM-UHFFFAOYSA-N
XLogP0.04
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-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 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 55236868) is 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Cn1cncn1.
What is the InChIKey of 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DAQQXTMGHCXYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-2-9-14(7(4-18-9)10(16)17)8(15)3-13-6-11-5-12-13/h5-7,9H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).