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

C15H12N4OS — CID 3647829

IUPAC3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccccc1C1=Nn2c(nnc2-c2ccco2)SC1
InChIInChI=1S/C15H12N4OS/c1-10-5-2-3-6-11(10)12-9-21-15-17-16-14(19(15)18-12)13-7-4-8-20-13/h2-8H,9H2,1H3
InChIKeyVEGHGGVTQLIDSY-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.20
Rot. Bonds2

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

3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 3647829) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID3647829
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccccc1C1=Nn2c(nnc2-c2ccco2)SC1
InChIInChI=1S/C15H12N4OS/c1-10-5-2-3-6-11(10)12-9-21-15-17-16-14(19(15)18-12)13-7-4-8-20-13/h2-8H,9H2,1H3
InChIKeyVEGHGGVTQLIDSY-UHFFFAOYSA-N
XLogP3.20
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 3647829) is 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1ccccc1C1=Nn2c(nnc2-c2ccco2)SC1.
What is the InChIKey of 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is VEGHGGVTQLIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-5-2-3-6-11(10)12-9-21-15-17-16-14(19(15)18-12)13-7-4-8-20-13/h2-8H,9H2,1H3.
What are the key properties of 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 296.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 3647829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).