6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C13H18N4O2S — CID 63273833

About 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 63273833) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• PubChem CID: 63273833
• Molecular Formula: C13H18N4O2S
• Molecular Weight: 294.38 g/mol
• Exact Mass: 294.12
• IUPAC Name: 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• SMILES: CN1CCC(CN(C)c2nc3sccn3c2C(=O)O)C1
• InChI: InChI=1S/C13H18N4O2S/c1-15-4-3-9(7-15)8-16(2)11-10(12(18)19)17-5-6-20-13(17)14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
• InChIKey: WMFFMGMDYBGFSC-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 61.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.38
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The IUPAC name of 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 63273833) is 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

What is the SMILES notation for 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The canonical SMILES for 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN1CCC(CN(C)c2nc3sccn3c2C(=O)O)C1.

What is the InChIKey of 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The InChIKey is WMFFMGMDYBGFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-15-4-3-9(7-15)8-16(2)11-10(12(18)19)17-5-6-20-13(17)14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19).

What are the key properties of 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 63273833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).