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

C9H11N3O3S2 — CID 65214397

IUPAC2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C9H11N3O3S2/c1-2-7-12(6(4-16-7)9(14)15)8(13)5-3-17-11-10-5/h3,6-7H,2,4H2,1H3,(H,14,15)
InChIKeyKZQKQUICIKPEMD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds3

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

2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65214397) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65214397
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C9H11N3O3S2/c1-2-7-12(6(4-16-7)9(14)15)8(13)5-3-17-11-10-5/h3,6-7H,2,4H2,1H3,(H,14,15)
InChIKeyKZQKQUICIKPEMD-UHFFFAOYSA-N
XLogP0.92
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65214397) is 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1csnn1.
What is the InChIKey of 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KZQKQUICIKPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-2-7-12(6(4-16-7)9(14)15)8(13)5-3-17-11-10-5/h3,6-7H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65214397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).