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

C16H24N4O5S2 — CID 108527258

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

N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108527258) has the molecular formula C16H24N4O5S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

• Compound Name: N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
• PubChem CID: 108527258
• Molecular Formula: C16H24N4O5S2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.12
• IUPAC Name: N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
• SMILES: COCCN(C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C16H24N4O5S2/c1-19-5-3-12-13(9-19)26-16(17-12)18-14(21)15(22)20(6-7-25-2)11-4-8-27(23,24)10-11/h11H,3-10H2,1-2H3,(H,17,18,21)
• InChIKey: CCXQRMNMUOQBCB-UHFFFAOYSA-N
• XLogP: -0.27
• TPSA: 108.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	-0.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108527258) is N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

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

The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is COCCN(C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2)C1CCS(=O)(=O)C1.

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

The InChIKey is CCXQRMNMUOQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S2/c1-19-5-3-12-13(9-19)26-16(17-12)18-14(21)15(22)20(6-7-25-2)11-4-8-27(23,24)10-11/h11H,3-10H2,1-2H3,(H,17,18,21).

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

N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 416.53 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108527258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).