7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C26H24N2O4S — CID 66753133

IUPAC7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(C=Cc3cccc(OC)c3OCC3CC3)nc3sccn3c2=O)cc1
InChIInChI=1S/C26H24N2O4S/c1-30-20-11-8-18(9-12-20)23-21(27-26-28(25(23)29)14-15-33-26)13-10-19-4-3-5-22(31-2)24(19)32-16-17-6-7-17/h3-5,8-15,17H,6-7,16H2,1-2H3
InChIKeyLQKZCORGQTUAMS-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.40
Rot. Bonds8

About 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753133) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753133
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(C=Cc3cccc(OC)c3OCC3CC3)nc3sccn3c2=O)cc1
InChIInChI=1S/C26H24N2O4S/c1-30-20-11-8-18(9-12-20)23-21(27-26-28(25(23)29)14-15-33-26)13-10-19-4-3-5-22(31-2)24(19)32-16-17-6-7-17/h3-5,8-15,17H,6-7,16H2,1-2H3
InChIKeyLQKZCORGQTUAMS-UHFFFAOYSA-N
XLogP5.40
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753133) is 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(-c2c(C=Cc3cccc(OC)c3OCC3CC3)nc3sccn3c2=O)cc1.
What is the InChIKey of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LQKZCORGQTUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-30-20-11-8-18(9-12-20)23-21(27-26-28(25(23)29)14-15-33-26)13-10-19-4-3-5-22(31-2)24(19)32-16-17-6-7-17/h3-5,8-15,17H,6-7,16H2,1-2H3.
What are the key properties of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 460.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).