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

C17H18N4O2S — CID 70689166

IUPAC2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC(c1ccccc1)n1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18N4O2S/c1-12(13-5-3-2-4-6-13)21-11-18-16(22)14-15(21)19-17(24-14)20-7-9-23-10-8-20/h2-6,11-12H,7-10H2,1H3
InChIKeyGHFWZRSCUXYMRA-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.30
Rot. Bonds3

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

2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 70689166) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID70689166
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC(c1ccccc1)n1cnc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18N4O2S/c1-12(13-5-3-2-4-6-13)21-11-18-16(22)14-15(21)19-17(24-14)20-7-9-23-10-8-20/h2-6,11-12H,7-10H2,1H3
InChIKeyGHFWZRSCUXYMRA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 70689166) is 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CC(c1ccccc1)n1cnc(=O)c2sc(N3CCOCC3)nc21.
What is the InChIKey of 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GHFWZRSCUXYMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12(13-5-3-2-4-6-13)21-11-18-16(22)14-15(21)19-17(24-14)20-7-9-23-10-8-20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-morpholin-4-yl-4-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 342.42 g/mol, XLogP of 2.30, 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-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 70689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).