3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole

C27H21N2S+ — CID 3337384

IUPAC3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole
SMILESCc1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)sn1
InChIInChI=1S/C27H21N2S/c1-20-17-27(30-28-20)29-25(22-13-7-3-8-14-22)18-24(21-11-5-2-6-12-21)19-26(29)23-15-9-4-10-16-23/h2-19H,1H3/q+1
InChIKeyXFSMZZYMLZOGGM-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.73
Rot. Bonds4

About 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole

3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole (PubChem CID 3337384) has the molecular formula C27H21N2S+ and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole
PubChem CID3337384
Molecular FormulaC27H21N2S+
Molecular Weight405.55 g/mol
Exact Mass405.14
IUPAC Name3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole
SMILESCc1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)sn1
InChIInChI=1S/C27H21N2S/c1-20-17-27(30-28-20)29-25(22-13-7-3-8-14-22)18-24(21-11-5-2-6-12-21)19-26(29)23-15-9-4-10-16-23/h2-19H,1H3/q+1
InChIKeyXFSMZZYMLZOGGM-UHFFFAOYSA-N
XLogP6.73
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole 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-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
ethane;3-methyl-5-phenyl-1,2-thiazole
CID 142845689
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
CID 12627142
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
1,5,6-trimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole
CID 3076323
4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133
1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-carboxylic acid
CID 3730818
1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
CID 102227143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole (CID 3337384) is 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole is Cc1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)sn1.
What is the InChIKey of 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole?
The InChIKey is XFSMZZYMLZOGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N2S/c1-20-17-27(30-28-20)29-25(22-13-7-3-8-14-22)18-24(21-11-5-2-6-12-21)19-26(29)23-15-9-4-10-16-23/h2-19H,1H3/q+1.
What are the key properties of 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole?
3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole has a molecular weight of 405.55 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole is sourced from PubChem (CID 3337384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).