6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C17H13FN4OS — CID 934327

IUPAC6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccccc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C17H13FN4OS/c1-23-15-5-3-2-4-13(15)16-19-20-17-22(16)21-14(10-24-17)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeySWBDKZJGPZINQO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.45
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 934327) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID934327
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccccc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C17H13FN4OS/c1-23-15-5-3-2-4-13(15)16-19-20-17-22(16)21-14(10-24-17)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeySWBDKZJGPZINQO-UHFFFAOYSA-N
XLogP3.45
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 934327) is 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccccc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is SWBDKZJGPZINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-23-15-5-3-2-4-13(15)16-19-20-17-22(16)21-14(10-24-17)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 340.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 934327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).