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

C10H13N3O3S2 — CID 63791180

IUPAC2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1nccs1
InChIInChI=1S/C10H13N3O3S2/c1-2-7-13(6(5-18-7)8(14)15)10(16)12-9-11-3-4-17-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyDMLDRKPIYPSVJV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.91
Rot. Bonds3

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

2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791180) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791180
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1nccs1
InChIInChI=1S/C10H13N3O3S2/c1-2-7-13(6(5-18-7)8(14)15)10(16)12-9-11-3-4-17-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyDMLDRKPIYPSVJV-UHFFFAOYSA-N
XLogP1.91
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dichlorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63782084
2-ethyl-3-[(1-methylimidazol-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63776197
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780153
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
3-[(3-bromo-5-methylphenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107576560
3-[(2-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780135
2-ethyl-3-(3-hydroxypyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791486
1-(1,3-thiazol-2-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187874
2-ethyl-3-prop-2-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 63791814
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791180) is 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Nc1nccs1.
What is the InChIKey of 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DMLDRKPIYPSVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-2-7-13(6(5-18-7)8(14)15)10(16)12-9-11-3-4-17-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).