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

C23H22N2O2S — CID 162655919

IUPAC5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C(C)=CSC3=N2)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-15-28-23-24-19(9-4-17-5-10-20(26-2)11-6-17)14-22(25(16)23)18-7-12-21(27-3)13-8-18/h4-15,22H,1-3H3/b9-4+
InChIKeyLMCBVWUDCNIFRH-RUDMXATFSA-N
MW390.51 g/mol
LogP5.62
Rot. Bonds5

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

5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 162655919) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID162655919
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C(C)=CSC3=N2)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-15-28-23-24-19(9-4-17-5-10-20(26-2)11-6-17)14-22(25(16)23)18-7-12-21(27-3)13-8-18/h4-15,22H,1-3H3/b9-4+
InChIKeyLMCBVWUDCNIFRH-RUDMXATFSA-N
XLogP5.62
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.62
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]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 162655919) is 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine is COc1ccc(/C=C/C2=CC(c3ccc(OC)cc3)N3C(C)=CSC3=N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is LMCBVWUDCNIFRH-RUDMXATFSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-15-28-23-24-19(9-4-17-5-10-20(26-2)11-6-17)14-22(25(16)23)18-7-12-21(27-3)13-8-18/h4-15,22H,1-3H3/b9-4+.
What are the key properties of 5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine?
5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 390.51 g/mol, XLogP of 5.62, 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]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 162655919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).