2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S2 — CID 65214448

IUPAC2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C10H13N3O3S2/c1-5(2)9-13(7(4-17-9)10(15)16)8(14)6-3-18-12-11-6/h3,5,7,9H,4H2,1-2H3,(H,15,16)
InChIKeyVVBLOFVQIAZJFO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.16
Rot. Bonds3

About 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65214448) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65214448
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C10H13N3O3S2/c1-5(2)9-13(7(4-17-9)10(15)16)8(14)6-3-18-12-11-6/h3,5,7,9H,4H2,1-2H3,(H,15,16)
InChIKeyVVBLOFVQIAZJFO-UHFFFAOYSA-N
XLogP1.16
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-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-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65214448) is 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)c1csnn1.
What is the InChIKey of 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VVBLOFVQIAZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-5(2)9-13(7(4-17-9)10(15)16)8(14)6-3-18-12-11-6/h3,5,7,9H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65214448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).