2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium

C20H16FN2S+ — CID 123654475

IUPAC2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2nc(-c3ccc(F)cc3)sc2cc[n+]1C
InChIInChI=1S/C20H16FN2S/c1-13-5-3-4-6-16(13)19-18-17(11-12-23(19)2)24-20(22-18)14-7-9-15(21)10-8-14/h3-12H,1-2H3/q+1
InChIKeyKHXPLZAQLVCSJS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.90
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium

2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium (PubChem CID 123654475) has the molecular formula C20H16FN2S+ and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium
PubChem CID123654475
Molecular FormulaC20H16FN2S+
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2nc(-c3ccc(F)cc3)sc2cc[n+]1C
InChIInChI=1S/C20H16FN2S/c1-13-5-3-4-6-16(13)19-18-17(11-12-23(19)2)24-20(22-18)14-7-9-15(21)10-8-14/h3-12H,1-2H3/q+1
InChIKeyKHXPLZAQLVCSJS-UHFFFAOYSA-N
XLogP4.90
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-phenyl-1,3-benzothiazole
CID 141364490
2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
CID 175289709
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 123455228
7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123861351
2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
CID 174756262
4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 66836122
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
3-fluoro-1-methyl-5-(2-methyl-1-benzothiophen-6-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 140881369
2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium
CID 160682385
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
CID 82190371
2-[4,7-bis(4-fluorophenyl)-1,3-benzothiazol-2-yl]phenol
CID 138712026
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium (CID 123654475) is 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium is Cc1ccccc1-c1c2nc(-c3ccc(F)cc3)sc2cc[n+]1C.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium?
The InChIKey is KHXPLZAQLVCSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN2S/c1-13-5-3-4-6-16(13)19-18-17(11-12-23(19)2)24-20(22-18)14-7-9-15(21)10-8-14/h3-12H,1-2H3/q+1.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium?
2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium has a molecular weight of 335.43 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 123654475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).