3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

C20H17N2OS+ — CID 3070922

IUPAC3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCOc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(C)[n+]12
InChIInChI=1S/C20H17N2OS/c1-14-13-17(15-9-5-3-6-10-15)21-20-22(14)19(23-2)18(24-20)16-11-7-4-8-12-16/h3-13H,1-2H3/q+1
InChIKeyRSHVFYDENUOKKI-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.53
Rot. Bonds3

About 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (PubChem CID 3070922) has the molecular formula C20H17N2OS+ and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.

Molecular Properties

Compound Name3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
PubChem CID3070922
Molecular FormulaC20H17N2OS+
Molecular Weight333.44 g/mol
Exact Mass333.11
IUPAC Name3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCOc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(C)[n+]12
InChIInChI=1S/C20H17N2OS/c1-14-13-17(15-9-5-3-6-10-15)21-20-22(14)19(23-2)18(24-20)16-11-7-4-8-12-16/h3-13H,1-2H3/q+1
InChIKeyRSHVFYDENUOKKI-UHFFFAOYSA-N
XLogP4.53
TPSA26.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium 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

2,2,2-trifluoro-1-[3-hydroxy-7-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-2-yl]ethanone
CID 13284764
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium
CID 6154216
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The IUPAC name of 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (CID 3070922) is 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.
What is the SMILES notation for 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The canonical SMILES for 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(C)[n+]12.
What is the InChIKey of 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The InChIKey is RSHVFYDENUOKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2OS/c1-14-13-17(15-9-5-3-6-10-15)21-20-22(14)19(23-2)18(24-20)16-11-7-4-8-12-16/h3-13H,1-2H3/q+1.
What are the key properties of 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium has a molecular weight of 333.44 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is sourced from PubChem (CID 3070922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).