2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C20H18N4O2S — CID 66780273

About 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780273) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 66780273
• Molecular Formula: C20H18N4O2S
• Molecular Weight: 378.46 g/mol
• Exact Mass: 378.12
• IUPAC Name: 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• SMILES: O=c1ncn(Cc2ccc3ccccc3c2)c2nc(N3CCOCC3)sc12
• InChI: InChI=1S/C20H18N4O2S/c25-19-17-18(22-20(27-17)23-7-9-26-10-8-23)24(13-21-19)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-6,11,13H,7-10,12H2
• InChIKey: PKQOUPQVAHFANQ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.46
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780273) is 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2ccc3ccccc3c2)c2nc(N3CCOCC3)sc12.

What is the InChIKey of 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The InChIKey is PKQOUPQVAHFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-19-17-18(22-20(27-17)23-7-9-26-10-8-23)24(13-21-19)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-6,11,13H,7-10,12H2.

What are the key properties of 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 378.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-yl-4-(naphthalen-2-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).