methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate

C12H14N4O4S — CID 95920452

IUPACmethyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O
InChIInChI=1S/C12H14N4O4S/c1-19-8(17)6-16-7-13-10-9(11(16)18)21-12(14-10)15-2-4-20-5-3-15/h7H,2-6H2,1H3
InChIKeyKBKMRJDTZIFWMV-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.14
Rot. Bonds3

About methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate

methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate (PubChem CID 95920452) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
PubChem CID95920452
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Namemethyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O
InChIInChI=1S/C12H14N4O4S/c1-19-8(17)6-16-7-13-10-9(11(16)18)21-12(14-10)15-2-4-20-5-3-15/h7H,2-6H2,1H3
InChIKeyKBKMRJDTZIFWMV-UHFFFAOYSA-N
XLogP-0.14
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784941
N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785186
6-[2-(4-chlorophenyl)-2-oxoethyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 95920439
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785184
N-(3-chlorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784939
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785159
N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784970
6-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 100714041
N-butan-2-yl-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369155
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50784945
N-cyclohexyl-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785191

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate (CID 95920452) is methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate is COC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O.
What is the InChIKey of methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate?
The InChIKey is KBKMRJDTZIFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-19-8(17)6-16-7-13-10-9(11(16)18)21-12(14-10)15-2-4-20-5-3-15/h7H,2-6H2,1H3.
What are the key properties of methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate?
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate has a molecular weight of 310.34 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate is sourced from PubChem (CID 95920452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).