6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H20N4O3S — CID 135943320

About 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943320) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943320
• Molecular Formula: C19H20N4O3S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.13
• IUPAC Name: 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc(Oc2ncc(CN3CCc4nc(C)[nH]c(=O)c4C3)s2)cc1
• InChI: InChI=1S/C19H20N4O3S/c1-12-21-17-7-8-23(11-16(17)18(24)22-12)10-15-9-20-19(27-15)26-14-5-3-13(25-2)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22,24)
• InChIKey: QUTHDWHLKWJPRT-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943320) is 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(Oc2ncc(CN3CCc4nc(C)[nH]c(=O)c4C3)s2)cc1.

What is the InChIKey of 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is QUTHDWHLKWJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-21-17-7-8-23(11-16(17)18(24)22-12)10-15-9-20-19(27-15)26-14-5-3-13(25-2)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22,24).

What are the key properties of 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).