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

C11H15N3O3S — CID 103510557

IUPAC2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cncn1C
InChIInChI=1S/C11H15N3O3S/c1-3-9-14(8(5-18-9)11(16)17)10(15)7-4-12-6-13(7)2/h4,6,8-9H,3,5H2,1-2H3,(H,16,17)
InChIKeyBIESNTCSGRMBEW-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.80
Rot. Bonds3

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

2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103510557) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID103510557
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cncn1C
InChIInChI=1S/C11H15N3O3S/c1-3-9-14(8(5-18-9)11(16)17)10(15)7-4-12-6-13(7)2/h4,6,8-9H,3,5H2,1-2H3,(H,16,17)
InChIKeyBIESNTCSGRMBEW-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 103510557) is 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1cncn1C.
What is the InChIKey of 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BIESNTCSGRMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-9-14(8(5-18-9)11(16)17)10(15)7-4-12-6-13(7)2/h4,6,8-9H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103510557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).