5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium

C19H23N2S+ — CID 123988664

IUPAC5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium
SMILESCc1cc(C)c(C)c(-c2cc3nc(C(C)C)sc3c[n+]2C)c1
InChIInChI=1S/C19H23N2S/c1-11(2)19-20-16-9-17(21(6)10-18(16)22-19)15-8-12(3)7-13(4)14(15)5/h7-11H,1-6H3/q+1
InChIKeyFNUAQHCJMAOQAA-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.84
Rot. Bonds2

About 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium

5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium (PubChem CID 123988664) has the molecular formula C19H23N2S+ and a molecular weight of 311.47 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium
PubChem CID123988664
Molecular FormulaC19H23N2S+
Molecular Weight311.47 g/mol
Exact Mass311.16
IUPAC Name5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium
SMILESCc1cc(C)c(C)c(-c2cc3nc(C(C)C)sc3c[n+]2C)c1
InChIInChI=1S/C19H23N2S/c1-11(2)19-20-16-9-17(21(6)10-18(16)22-19)15-8-12(3)7-13(4)14(15)5/h7-11H,1-6H3/q+1
InChIKeyFNUAQHCJMAOQAA-UHFFFAOYSA-N
XLogP4.84
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.84
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-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123162268
2-(2-deuteriopropan-2-yl)-4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 159303631
3-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)imidazo[4,5-c]pyridin-5-ium
CID 123802828
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123931201
2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123262871
6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
CID 161413854
1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
CID 164797263
11-methyl-12-(2,3,5-trimethylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 158489946
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
CID 123976540
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
3-(5-methoxy-2-methylphenyl)-2-methylbenzo[g]isoquinolin-2-ium;2-methyl-3-[2-methyl-3,5-di(propan-2-yl)phenyl]benzo[g]isoquinolin-2-ium;2-methyl-3-(2,3,5-trimethylphenyl)benzo[g]isoquinolin-2-ium;N,N,4-trimethyl-3-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)aniline
CID 158528848
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 161299419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium (CID 123988664) is 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium is Cc1cc(C)c(C)c(-c2cc3nc(C(C)C)sc3c[n+]2C)c1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium?
The InChIKey is FNUAQHCJMAOQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2S/c1-11(2)19-20-16-9-17(21(6)10-18(16)22-19)15-8-12(3)7-13(4)14(15)5/h7-11H,1-6H3/q+1.
What are the key properties of 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium?
5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium has a molecular weight of 311.47 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 123988664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).