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

C11H8F2N4S — CID 7173995

IUPAC6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1nnc2n1N=C(c1ccc(F)cc1F)CS2
InChIInChI=1S/C11H8F2N4S/c1-6-14-15-11-17(6)16-10(5-18-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3
InChIKeyOWSQWLCXCKHHCS-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.22
Rot. Bonds1

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

6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 7173995) has the molecular formula C11H8F2N4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID7173995
Molecular FormulaC11H8F2N4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1nnc2n1N=C(c1ccc(F)cc1F)CS2
InChIInChI=1S/C11H8F2N4S/c1-6-14-15-11-17(6)16-10(5-18-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3
InChIKeyOWSQWLCXCKHHCS-UHFFFAOYSA-N
XLogP2.22
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 7173995) is 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1nnc2n1N=C(c1ccc(F)cc1F)CS2.
What is the InChIKey of 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is OWSQWLCXCKHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4S/c1-6-14-15-11-17(6)16-10(5-18-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 266.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 7173995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).