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

C18H18Cl2N4O2S — CID 66780488

IUPAC4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC1(C)CN(c2nc3c(s2)c(=O)ncn3Cc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C18H18Cl2N4O2S/c1-18(2)9-23(6-7-26-18)17-22-15-14(27-17)16(25)21-10-24(15)8-11-4-3-5-12(19)13(11)20/h3-5,10H,6-9H2,1-2H3
InChIKeyXQDBTHQYNUJFQG-UHFFFAOYSA-N
MW425.34 g/mol
LogP3.82
Rot. Bonds3

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

4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780488) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780488
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC Name4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC1(C)CN(c2nc3c(s2)c(=O)ncn3Cc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C18H18Cl2N4O2S/c1-18(2)9-23(6-7-26-18)17-22-15-14(27-17)16(25)21-10-24(15)8-11-4-3-5-12(19)13(11)20/h3-5,10H,6-9H2,1-2H3
InChIKeyXQDBTHQYNUJFQG-UHFFFAOYSA-N
XLogP3.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-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

Related Compounds

4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66779813
4-[(3-chloro-2-methylphenyl)methyl]-5-(methyloxy)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66779989
5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780007
{[4-[(3-Chloro-2-methylphenyl)methyl]-2-(4-morpholinyl)-7-oxo-4,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetic acid
CID 66780118
4-[(3-chloro-2-methylphenyl)methyl]-5-(methylthio)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780292
4-[(3-chloro-2-methylphenyl)methyl]-5-(hydroxymethyl)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780337
4-[(3-Chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66779920
4-Benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780027
4-[(2,3-Dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780266
4-[(3-Chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780379
4-[(2-Methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780644
4-[(2-Chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780835

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780488) is 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CC1(C)CN(c2nc3c(s2)c(=O)ncn3Cc2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is XQDBTHQYNUJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S/c1-18(2)9-23(6-7-26-18)17-22-15-14(27-17)16(25)21-10-24(15)8-11-4-3-5-12(19)13(11)20/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 425.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).