5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine

C22H20N2O2S — CID 162660010

IUPAC5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C=CSC3=N2)cc1
InChIInChI=1S/C22H20N2O2S/c1-25-19-9-4-16(5-10-19)3-8-18-15-21(24-13-14-27-22(24)23-18)17-6-11-20(26-2)12-7-17/h3-15,21H,1-2H3/b8-3+
InChIKeyHRCKOJIEKGYZMW-FPYGCLRLSA-N
MW376.48 g/mol
LogP5.23
Rot. Bonds5

About 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine

5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 162660010) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID162660010
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C=CSC3=N2)cc1
InChIInChI=1S/C22H20N2O2S/c1-25-19-9-4-16(5-10-19)3-8-18-15-21(24-13-14-27-22(24)23-18)17-6-11-20(26-2)12-7-17/h3-15,21H,1-2H3/b8-3+
InChIKeyHRCKOJIEKGYZMW-FPYGCLRLSA-N
XLogP5.23
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 162660010) is 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is COc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C=CSC3=N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is HRCKOJIEKGYZMW-FPYGCLRLSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-25-19-9-4-16(5-10-19)3-8-18-15-21(24-13-14-27-22(24)23-18)17-6-11-20(26-2)12-7-17/h3-15,21H,1-2H3/b8-3+.
What are the key properties of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 376.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 162660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).