3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C13H18N4O3S — CID 63775078

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63775078) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 63775078
• Molecular Formula: C13H18N4O3S
• Molecular Weight: 310.38 g/mol
• Exact Mass: 310.11
• IUPAC Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
• SMILES: CCC1SCC(C(=O)O)N1C(=O)N1CCn2ccnc2C1
• InChI: InChI=1S/C13H18N4O3S/c1-2-11-17(9(8-21-11)12(18)19)13(20)16-6-5-15-4-3-14-10(15)7-16/h3-4,9,11H,2,5-8H2,1H3,(H,18,19)
• InChIKey: VMHAVJIVIUYYTF-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.38
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63775078) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N1CCn2ccnc2C1.

What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is VMHAVJIVIUYYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-11-17(9(8-21-11)12(18)19)13(20)16-6-5-15-4-3-14-10(15)7-16/h3-4,9,11H,2,5-8H2,1H3,(H,18,19).

What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63775078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).