2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine

C7H6F3N3S3 — CID 22016861

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine
SMILESFC(F)(F)c1nsc(SC2=NCCCS2)n1
InChIInChI=1S/C7H6F3N3S3/c8-7(9,10)4-12-6(16-13-4)15-5-11-2-1-3-14-5/h1-3H2
InChIKeyCMFFMEUSRAXCJR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.14
Rot. Bonds1

About 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016861) has the molecular formula C7H6F3N3S3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016861
Molecular FormulaC7H6F3N3S3
Molecular Weight285.34 g/mol
Exact Mass284.97
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine
SMILESFC(F)(F)c1nsc(SC2=NCCCS2)n1
InChIInChI=1S/C7H6F3N3S3/c8-7(9,10)4-12-6(16-13-4)15-5-11-2-1-3-14-5/h1-3H2
InChIKeyCMFFMEUSRAXCJR-UHFFFAOYSA-N
XLogP3.14
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine (CID 22016861) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine is FC(F)(F)c1nsc(SC2=NCCCS2)n1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is CMFFMEUSRAXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3S3/c8-7(9,10)4-12-6(16-13-4)15-5-11-2-1-3-14-5/h1-3H2.
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 285.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).