5,6-dihydro-[1,3]thiazolo[3,2-c]triazole

C4H5N3S — CID 154724305

IUPAC5,6-dihydro-[1,3]thiazolo[3,2-c]triazole
SMILESc1nnn2c1SCC2
InChIInChI=1S/C4H5N3S/c1-2-8-4-3-5-6-7(1)4/h3H,1-2H2
InChIKeyWFHUASTYVDHXOV-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.38
Rot. Bonds

About 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole

5,6-dihydro-[1,3]thiazolo[3,2-c]triazole (PubChem CID 154724305) has the molecular formula C4H5N3S and a molecular weight of 127.17 g/mol. Its IUPAC name is 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole.

Molecular Properties

Compound Name5,6-dihydro-[1,3]thiazolo[3,2-c]triazole
PubChem CID154724305
Molecular FormulaC4H5N3S
Molecular Weight127.17 g/mol
Exact Mass127.02
IUPAC Name5,6-dihydro-[1,3]thiazolo[3,2-c]triazole
SMILESc1nnn2c1SCC2
InChIInChI=1S/C4H5N3S/c1-2-8-4-3-5-6-7(1)4/h3H,1-2H2
InChIKeyWFHUASTYVDHXOV-UHFFFAOYSA-N
XLogP0.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole?
The IUPAC name of 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole (CID 154724305) is 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole.
What is the SMILES notation for 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole?
The canonical SMILES for 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole is c1nnn2c1SCC2.
What is the InChIKey of 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole?
The InChIKey is WFHUASTYVDHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c1-2-8-4-3-5-6-7(1)4/h3H,1-2H2.
What are the key properties of 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole?
5,6-dihydro-[1,3]thiazolo[3,2-c]triazole has a molecular weight of 127.17 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-[1,3]thiazolo[3,2-c]triazole is sourced from PubChem (CID 154724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).