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

C18H20N4O2S — CID 66780017

IUPAC4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N4O2S/c1-2-13-5-3-4-6-14(13)11-22-12-19-17(23)15-16(22)20-18(25-15)21-7-9-24-10-8-21/h3-6,12H,2,7-11H2,1H3
InChIKeyYDJAZSCWEZPTGZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.30
Rot. Bonds4

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

4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780017) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780017
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N4O2S/c1-2-13-5-3-4-6-14(13)11-22-12-19-17(23)15-16(22)20-18(25-15)21-7-9-24-10-8-21/h3-6,12H,2,7-11H2,1H3
InChIKeyYDJAZSCWEZPTGZ-UHFFFAOYSA-N
XLogP2.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780017) is 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CCc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21.
What is the InChIKey of 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YDJAZSCWEZPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-13-5-3-4-6-14(13)11-22-12-19-17(23)15-16(22)20-18(25-15)21-7-9-24-10-8-21/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 356.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).