3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane

C8H17N3O5S — CID 90418645

IUPAC3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane
SMILESCC(=O)N1C(C(=O)O)CSC1(C)C(=O)O.N.N
InChIInChI=1S/C8H11NO5S.2H3N/c1-4(10)9-5(6(11)12)3-15-8(9,2)7(13)14;;/h5H,3H2,1-2H3,(H,11,12)(H,13,14);2*1H3
InChIKeyUSFZIKWFDJIUIF-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.16
Rot. Bonds2

About 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane

3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane (PubChem CID 90418645) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane.

Molecular Properties

Compound Name3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane
PubChem CID90418645
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Name3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane
SMILESCC(=O)N1C(C(=O)O)CSC1(C)C(=O)O.N.N
InChIInChI=1S/C8H11NO5S.2H3N/c1-4(10)9-5(6(11)12)3-15-8(9,2)7(13)14;;/h5H,3H2,1-2H3,(H,11,12)(H,13,14);2*1H3
InChIKeyUSFZIKWFDJIUIF-UHFFFAOYSA-N
XLogP0.16
TPSA164.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane 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 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane?
The IUPAC name of 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane (CID 90418645) is 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane.
What is the SMILES notation for 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane?
The canonical SMILES for 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane is CC(=O)N1C(C(=O)O)CSC1(C)C(=O)O.N.N.
What is the InChIKey of 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane?
The InChIKey is USFZIKWFDJIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S.2H3N/c1-4(10)9-5(6(11)12)3-15-8(9,2)7(13)14;;/h5H,3H2,1-2H3,(H,11,12)(H,13,14);2*1H3.
What are the key properties of 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane?
3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane has a molecular weight of 267.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid;azane is sourced from PubChem (CID 90418645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).