4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide

C7H8F3N3O2S2 — CID 146127078

IUPAC4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C7H8F3N3O2S2/c8-7(9,10)5-11-6(16-12-5)13-1-3-17(14,15)4-2-13/h1-4H2
InChIKeyQBVRLVYZONADKA-UHFFFAOYSA-N
MW287.29 g/mol
LogP0.79
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide

4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 146127078) has the molecular formula C7H8F3N3O2S2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID146127078
Molecular FormulaC7H8F3N3O2S2
Molecular Weight287.29 g/mol
Exact Mass287.00
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C7H8F3N3O2S2/c8-7(9,10)5-11-6(16-12-5)13-1-3-17(14,15)4-2-13/h1-4H2
InChIKeyQBVRLVYZONADKA-UHFFFAOYSA-N
XLogP0.79
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide (CID 146127078) is 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QBVRLVYZONADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S2/c8-7(9,10)5-11-6(16-12-5)13-1-3-17(14,15)4-2-13/h1-4H2.
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide?
4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146127078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).