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

C9H5F3N4S2 — CID 5124126

IUPAC6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFC(F)(F)c1nnc2n1N=C(c1cccs1)CS2
InChIInChI=1S/C9H5F3N4S2/c10-9(11,12)7-13-14-8-16(7)15-5(4-18-8)6-2-1-3-17-6/h1-3H,4H2
InChIKeyCSDIXWNJKRCNBG-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.72
Rot. Bonds1

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

6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 5124126) has the molecular formula C9H5F3N4S2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID5124126
Molecular FormulaC9H5F3N4S2
Molecular Weight290.30 g/mol
Exact Mass289.99
IUPAC Name6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFC(F)(F)c1nnc2n1N=C(c1cccs1)CS2
InChIInChI=1S/C9H5F3N4S2/c10-9(11,12)7-13-14-8-16(7)15-5(4-18-8)6-2-1-3-17-6/h1-3H,4H2
InChIKeyCSDIXWNJKRCNBG-UHFFFAOYSA-N
XLogP2.72
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 5124126) is 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is FC(F)(F)c1nnc2n1N=C(c1cccs1)CS2.
What is the InChIKey of 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is CSDIXWNJKRCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4S2/c10-9(11,12)7-13-14-8-16(7)15-5(4-18-8)6-2-1-3-17-6/h1-3H,4H2.
What are the key properties of 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 290.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 5124126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).