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

C17H18N4O2S — CID 66780644

IUPAC4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18N4O2S/c1-12-4-2-3-5-13(12)10-21-11-18-16(22)14-15(21)19-17(24-14)20-6-8-23-9-7-20/h2-5,11H,6-10H2,1H3
InChIKeyWNDQVPXIYCYJJW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.05
Rot. Bonds3

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

4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780644) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780644
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18N4O2S/c1-12-4-2-3-5-13(12)10-21-11-18-16(22)14-15(21)19-17(24-14)20-6-8-23-9-7-20/h2-5,11H,6-10H2,1H3
InChIKeyWNDQVPXIYCYJJW-UHFFFAOYSA-N
XLogP2.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780644) is 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WNDQVPXIYCYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-4-2-3-5-13(12)10-21-11-18-16(22)14-15(21)19-17(24-14)20-6-8-23-9-7-20/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 342.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).