3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

C19H24N4O3S2 — CID 46618999

About 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (PubChem CID 46618999) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
• PubChem CID: 46618999
• Molecular Formula: C19H24N4O3S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.13
• IUPAC Name: 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
• SMILES: CCn1c(SC(C)C(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC(C)C3
• InChI: InChI=1S/C19H24N4O3S2/c1-4-22-17(25)14-12-6-5-10(2)9-13(12)28-15(14)21-19(22)27-11(3)16(24)23-8-7-20-18(23)26/h10-11H,4-9H2,1-3H3,(H,20,26)
• InChIKey: LXXAZNQXOUSZSS-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CID 46618999) is 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is CCn1c(SC(C)C(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC(C)C3.

What is the InChIKey of 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?

The InChIKey is LXXAZNQXOUSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-4-22-17(25)14-12-6-5-10(2)9-13(12)28-15(14)21-19(22)27-11(3)16(24)23-8-7-20-18(23)26/h10-11H,4-9H2,1-3H3,(H,20,26).

What are the key properties of 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?

3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46618999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).