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

C22H20N2S — CID 162663753

IUPAC5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCc1ccc(/C=C/C2=CC(c3ccc(C)cc3)N3C=CSC3=N2)cc1
InChIInChI=1S/C22H20N2S/c1-16-3-7-18(8-4-16)9-12-20-15-21(19-10-5-17(2)6-11-19)24-13-14-25-22(24)23-20/h3-15,21H,1-2H3/b12-9+
InChIKeySREHUNQCGFAAHR-FMIVXFBMSA-N
MW344.48 g/mol
LogP5.83
Rot. Bonds3

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

5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 162663753) has the molecular formula C22H20N2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID162663753
Molecular FormulaC22H20N2S
Molecular Weight344.48 g/mol
Exact Mass344.13
IUPAC Name5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCc1ccc(/C=C/C2=CC(c3ccc(C)cc3)N3C=CSC3=N2)cc1
InChIInChI=1S/C22H20N2S/c1-16-3-7-18(8-4-16)9-12-20-15-21(19-10-5-17(2)6-11-19)24-13-14-25-22(24)23-20/h3-15,21H,1-2H3/b12-9+
InChIKeySREHUNQCGFAAHR-FMIVXFBMSA-N
XLogP5.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Ethylphenyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 20994488
(13E)-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333204
3-[4-(2-Methylpropyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 23723158
(13E)-13-benzylidene-6,8-diphenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333103
(13E)-6-(4-fluorophenyl)-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333304
N-benzyl-5-(iodomethyl)-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 127036470
(13Z)-6,8-bis(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 134134800
(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969023
(9E)-9-benzylidene-3-methyl-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969024
3-(4-Methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 684820
Imidazo[2,1-b]thiazole, 3-[1,1'-biphenyl]-4-yl-5,6-dihydro-
CID 2059289
3-(Methylethyl)-4-phenyl-2-(phenylazamethylene)-1,3-thiazoline
CID 716478

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 162663753) is 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is Cc1ccc(/C=C/C2=CC(c3ccc(C)cc3)N3C=CSC3=N2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is SREHUNQCGFAAHR-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H20N2S/c1-16-3-7-18(8-4-16)9-12-20-15-21(19-10-5-17(2)6-11-19)24-13-14-25-22(24)23-20/h3-15,21H,1-2H3/b12-9+.
What are the key properties of 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine?
5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 344.48 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 162663753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).