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

C16H14Cl2N4O2S — CID 66780266

IUPAC4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2cccc(Cl)c2Cl)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H14Cl2N4O2S/c17-11-3-1-2-10(12(11)18)8-22-9-19-15(23)13-14(22)20-16(25-13)21-4-6-24-7-5-21/h1-3,9H,4-8H2
InChIKeyVENFEBYOSUGVRR-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.04
Rot. Bonds3

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

4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780266) has the molecular formula C16H14Cl2N4O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780266
Molecular FormulaC16H14Cl2N4O2S
Molecular Weight397.29 g/mol
Exact Mass396.02
IUPAC Name4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2cccc(Cl)c2Cl)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H14Cl2N4O2S/c17-11-3-1-2-10(12(11)18)8-22-9-19-15(23)13-14(22)20-16(25-13)21-4-6-24-7-5-21/h1-3,9H,4-8H2
InChIKeyVENFEBYOSUGVRR-UHFFFAOYSA-N
XLogP3.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780266) is 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2cccc(Cl)c2Cl)c2nc(N3CCOCC3)sc12.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VENFEBYOSUGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2S/c17-11-3-1-2-10(12(11)18)8-22-9-19-15(23)13-14(22)20-16(25-13)21-4-6-24-7-5-21/h1-3,9H,4-8H2.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2,3-dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 397.29 g/mol, XLogP of 3.04, 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-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).