N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

C12H18N4O3S — CID 108526707

About N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108526707) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

• Compound Name: N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
• PubChem CID: 108526707
• Molecular Formula: C12H18N4O3S
• Molecular Weight: 298.37 g/mol
• Exact Mass: 298.11
• IUPAC Name: N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
• SMILES: CN1CCc2nc(NC(=O)C(=O)N(C)CCO)sc2C1
• InChI: InChI=1S/C12H18N4O3S/c1-15-4-3-8-9(7-15)20-12(13-8)14-10(18)11(19)16(2)5-6-17/h17H,3-7H2,1-2H3,(H,13,14,18)
• InChIKey: CKNGXFBYQSGWDQ-UHFFFAOYSA-N
• XLogP: -0.48
• TPSA: 85.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.37
LogP ≤ 5	-0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?

The IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108526707) is N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

What is the SMILES notation for N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?

The canonical SMILES for N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is CN1CCc2nc(NC(=O)C(=O)N(C)CCO)sc2C1.

What is the InChIKey of N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?

The InChIKey is CKNGXFBYQSGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-15-4-3-8-9(7-15)20-12(13-8)14-10(18)11(19)16(2)5-6-17/h17H,3-7H2,1-2H3,(H,13,14,18).

What are the key properties of N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?

N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 298.37 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).