3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C19H16N6S — CID 59665133

IUPAC3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccc(C2=Nn3c(nnc3-c3c(C)nc4ccccn34)SC2)cc1
InChIInChI=1S/C19H16N6S/c1-12-6-8-14(9-7-12)15-11-26-19-22-21-18(25(19)23-15)17-13(2)20-16-5-3-4-10-24(16)17/h3-10H,11H2,1-2H3
InChIKeyBTUOEQCATNGTGZ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.57
Rot. Bonds2

About 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 59665133) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID59665133
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccc(C2=Nn3c(nnc3-c3c(C)nc4ccccn34)SC2)cc1
InChIInChI=1S/C19H16N6S/c1-12-6-8-14(9-7-12)15-11-26-19-22-21-18(25(19)23-15)17-13(2)20-16-5-3-4-10-24(16)17/h3-10H,11H2,1-2H3
InChIKeyBTUOEQCATNGTGZ-UHFFFAOYSA-N
XLogP3.57
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3515068
6-(4-chlorophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45136664
3-(3-methylphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45136693
3-(4-methoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3840487
3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 11811143
6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 56736484
3-butyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 11507508
3-(5-chloro-2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 59665096
3-(4-chloro-2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 59665073
1-methyl-5-[6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pyrrol-3-amine
CID 59665070
3-(3-methoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 5233081
6-(4-fluorophenyl)-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 933950

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 59665133) is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1ccc(C2=Nn3c(nnc3-c3c(C)nc4ccccn34)SC2)cc1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is BTUOEQCATNGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-12-6-8-14(9-7-12)15-11-26-19-22-21-18(25(19)23-15)17-13(2)20-16-5-3-4-10-24(16)17/h3-10H,11H2,1-2H3.
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 360.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 59665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).