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

C14H13N2S+ — CID 123169376

IUPAC4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
SMILESCc1ccccc1-c1ccc2scnc2[n+]1C
InChIInChI=1S/C14H13N2S/c1-10-5-3-4-6-11(10)12-7-8-13-14(16(12)2)15-9-17-13/h3-9H,1-2H3/q+1
InChIKeyMYZWKKFYILIOAA-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.10
Rot. Bonds1

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

4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (PubChem CID 123169376) has the molecular formula C14H13N2S+ and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
PubChem CID123169376
Molecular FormulaC14H13N2S+
Molecular Weight241.34 g/mol
Exact Mass241.08
IUPAC Name4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
SMILESCc1ccccc1-c1ccc2scnc2[n+]1C
InChIInChI=1S/C14H13N2S/c1-10-5-3-4-6-11(10)12-7-8-13-14(16(12)2)15-9-17-13/h3-9H,1-2H3/q+1
InChIKeyMYZWKKFYILIOAA-UHFFFAOYSA-N
XLogP3.10
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.10
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

6-methyl-5-(2-methylphenyl)-10-aza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159164422
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
CID 123928150
2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
CID 123545957
3-methyl-4-(2-methylphenyl)-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
CID 140861435
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
CID 166010923
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-5-(2-methylphenyl)imidazo[4,5-b]pyridin-4-ium
CID 123135867
4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123727172
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The IUPAC name of 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (CID 123169376) is 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is Cc1ccccc1-c1ccc2scnc2[n+]1C.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The InChIKey is MYZWKKFYILIOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2S/c1-10-5-3-4-6-11(10)12-7-8-13-14(16(12)2)15-9-17-13/h3-9H,1-2H3/q+1.
What are the key properties of 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?
4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium has a molecular weight of 241.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 123169376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).