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

C25H24N4O5S — CID 39859306

IUPAC4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one
SMILESCOc1ccc(C(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(N4CCOCC4)sc32)cc1OC
InChIInChI=1S/C25H24N4O5S/c1-32-19-9-8-17(14-20(19)33-2)18(30)15-29-23-22(27-25(35-23)28-10-12-34-13-11-28)21(26-24(29)31)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMYKPMKGFVXWBDG-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.26
Rot. Bonds7

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

4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one (PubChem CID 39859306) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one
PubChem CID39859306
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one
SMILESCOc1ccc(C(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(N4CCOCC4)sc32)cc1OC
InChIInChI=1S/C25H24N4O5S/c1-32-19-9-8-17(14-20(19)33-2)18(30)15-29-23-22(27-25(35-23)28-10-12-34-13-11-28)21(26-24(29)31)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMYKPMKGFVXWBDG-UHFFFAOYSA-N
XLogP3.26
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
CID 39859192
5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 42100022
N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
CID 39858884
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525
2-(2-morpholin-4-yl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)-N-(2-phenylethyl)acetamide
CID 39859239
(3,4-dimethoxyphenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133329934
[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 43983296
(3,4-dimethoxyphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539236
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
CID 16849828
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-[4-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]phenyl]ethanone
CID 121081720
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one (CID 39859306) is 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one is COc1ccc(C(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(N4CCOCC4)sc32)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one?
The InChIKey is MYKPMKGFVXWBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-32-19-9-8-17(14-20(19)33-2)18(30)15-29-23-22(27-25(35-23)28-10-12-34-13-11-28)21(26-24(29)31)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one?
4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one has a molecular weight of 492.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one is sourced from PubChem (CID 39859306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).