2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H12N4O3S2 — CID 114913090

IUPAC2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1cnns1
InChIInChI=1S/C9H12N4O3S2/c1-2-7-13(5(4-17-7)8(14)15)9(16)11-6-3-10-12-18-6/h3,5,7H,2,4H2,1H3,(H,11,16)(H,14,15)
InChIKeyBCSAMNXVSWOJDA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.31
Rot. Bonds3

About 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114913090) has the molecular formula C9H12N4O3S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID114913090
Molecular FormulaC9H12N4O3S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Name2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1cnns1
InChIInChI=1S/C9H12N4O3S2/c1-2-7-13(5(4-17-7)8(14)15)9(16)11-6-3-10-12-18-6/h3,5,7H,2,4H2,1H3,(H,11,16)(H,14,15)
InChIKeyBCSAMNXVSWOJDA-UHFFFAOYSA-N
XLogP1.31
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-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

Related Compounds

3-[(3,4-dichlorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63782084
2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791180
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-[(2-bromophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781929
3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780153
3-[(3-bromo-5-methylphenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107576560
2-ethyl-3-[(3-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779580
3-[(3-bromo-4-fluorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 104780153
3-[(2-chloro-5-methylphenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107627932
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
3-[(2-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780135
(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983007

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 114913090) is 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Nc1cnns1.
What is the InChIKey of 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BCSAMNXVSWOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S2/c1-2-7-13(5(4-17-7)8(14)15)9(16)11-6-3-10-12-18-6/h3,5,7H,2,4H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114913090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).