6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C17H13BrN4S — CID 2034308

IUPAC6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccccc1-c1nnc2n1NC(c1ccc(Br)cc1)=CS2
InChIInChI=1S/C17H13BrN4S/c1-11-4-2-3-5-14(11)16-19-20-17-22(16)21-15(10-23-17)12-6-8-13(18)9-7-12/h2-10,21H,1H3
InChIKeyALZKCLPNNCOXRQ-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.66
Rot. Bonds2

About 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 2034308) has the molecular formula C17H13BrN4S and a molecular weight of 385.29 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID2034308
Molecular FormulaC17H13BrN4S
Molecular Weight385.29 g/mol
Exact Mass384.00
IUPAC Name6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccccc1-c1nnc2n1NC(c1ccc(Br)cc1)=CS2
InChIInChI=1S/C17H13BrN4S/c1-11-4-2-3-5-14(11)16-19-20-17-22(16)21-15(10-23-17)12-6-8-13(18)9-7-12/h2-10,21H,1H3
InChIKeyALZKCLPNNCOXRQ-UHFFFAOYSA-N
XLogP4.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

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Related Compounds

6-(2-bromophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665805
6-(2-bromophenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665806
6-(2-bromophenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665856
3-(4-bromophenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 5253400
6-(4-bromophenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662613
6-(4-bromophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1310031
3-(4-Bromophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
CID 44423387
5-(3-Bromophenyl)-3-(ethylsulfanyl)-1H-1,2,4-triazole
CID 44423386
3-(4-bromophenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3544016
5-(4-Bromophenyl)-3-(ethylsulfanyl)-1H-1,2,4-triazole
CID 28458090
3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine
CID 603622
6-(4-bromophenyl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 15995894

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 2034308) is 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1ccccc1-c1nnc2n1NC(c1ccc(Br)cc1)=CS2.
What is the InChIKey of 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is ALZKCLPNNCOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4S/c1-11-4-2-3-5-14(11)16-19-20-17-22(16)21-15(10-23-17)12-6-8-13(18)9-7-12/h2-10,21H,1H3.
What are the key properties of 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 385.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-(2-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 2034308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).