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

C23H22N2S — CID 162671969

IUPAC3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1=CSC2=NC(/C=C/c3ccc(C)cc3)=CC(c3ccc(C)cc3)N12
InChIInChI=1S/C23H22N2S/c1-16-4-8-19(9-5-16)10-13-21-14-22(20-11-6-17(2)7-12-20)25-18(3)15-26-23(25)24-21/h4-15,22H,1-3H3/b13-10+
InChIKeySHOOADDFKPDHNC-JLHYYAGUSA-N
MW358.51 g/mol
LogP6.22
Rot. Bonds3

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

3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 162671969) has the molecular formula C23H22N2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID162671969
Molecular FormulaC23H22N2S
Molecular Weight358.51 g/mol
Exact Mass358.15
IUPAC Name3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1=CSC2=NC(/C=C/c3ccc(C)cc3)=CC(c3ccc(C)cc3)N12
InChIInChI=1S/C23H22N2S/c1-16-4-8-19(9-5-16)10-13-21-14-22(20-11-6-17(2)7-12-20)25-18(3)15-26-23(25)24-21/h4-15,22H,1-3H3/b13-10+
InChIKeySHOOADDFKPDHNC-JLHYYAGUSA-N
XLogP6.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 162671969) is 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is CC1=CSC2=NC(/C=C/c3ccc(C)cc3)=CC(c3ccc(C)cc3)N12.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is SHOOADDFKPDHNC-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H22N2S/c1-16-4-8-19(9-5-16)10-13-21-14-22(20-11-6-17(2)7-12-20)25-18(3)15-26-23(25)24-21/h4-15,22H,1-3H3/b13-10+.
What are the key properties of 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 358.51 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 162671969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).