N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

C17H24N4O2S — CID 78826587

About N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide (PubChem CID 78826587) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide
• PubChem CID: 78826587
• Molecular Formula: C17H24N4O2S
• Molecular Weight: 348.47 g/mol
• Exact Mass: 348.16
• IUPAC Name: N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide
• SMILES: CNC(=O)CN(C)C(C)c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3
• InChI: InChI=1S/C17H24N4O2S/c1-9-5-6-11-12(7-9)24-17-14(11)16(23)19-15(20-17)10(2)21(4)8-13(22)18-3/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,20,23)
• InChIKey: VAJVJXJNJQZNMC-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.47
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The IUPAC name of N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide (CID 78826587) is N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide.

What is the SMILES notation for N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The canonical SMILES for N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide is CNC(=O)CN(C)C(C)c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3.

What is the InChIKey of N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

The InChIKey is VAJVJXJNJQZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-9-5-6-11-12(7-9)24-17-14(11)16(23)19-15(20-17)10(2)21(4)8-13(22)18-3/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,20,23).

What are the key properties of N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide?

N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[methyl-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 78826587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).