N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C18H19N3O4S — CID 16869022

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16869022) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• PubChem CID: 16869022
• Molecular Formula: C18H19N3O4S
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.11
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• SMILES: Cc1nc2n(c(=O)c1C)C(CC(=O)NCc1ccc3c(c1)OCO3)CS2
• InChI: InChI=1S/C18H19N3O4S/c1-10-11(2)20-18-21(17(10)23)13(8-26-18)6-16(22)19-7-12-3-4-14-15(5-12)25-9-24-14/h3-5,13H,6-9H2,1-2H3,(H,19,22)
• InChIKey: BETQSVGSLKWCKN-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16869022) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1nc2n(c(=O)c1C)C(CC(=O)NCc1ccc3c(c1)OCO3)CS2.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The InChIKey is BETQSVGSLKWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10-11(2)20-18-21(17(10)23)13(8-26-18)6-16(22)19-7-12-3-4-14-15(5-12)25-9-24-14/h3-5,13H,6-9H2,1-2H3,(H,19,22).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16869022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).