5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine

C6H10N4OS2 — CID 66279457

IUPAC5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCS(=O)CC2)n1
InChIInChI=1S/C6H10N4OS2/c7-5-8-6(12-9-5)10-1-3-13(11)4-2-10/h1-4H2,(H2,7,9)
InChIKeyVPPRUZUMCCSHER-UHFFFAOYSA-N
MW218.31 g/mol
LogP-0.31
Rot. Bonds1

About 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine

5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66279457) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66279457
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCS(=O)CC2)n1
InChIInChI=1S/C6H10N4OS2/c7-5-8-6(12-9-5)10-1-3-13(11)4-2-10/h1-4H2,(H2,7,9)
InChIKeyVPPRUZUMCCSHER-UHFFFAOYSA-N
XLogP-0.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (CID 66279457) is 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is VPPRUZUMCCSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c7-5-8-6(12-9-5)10-1-3-13(11)4-2-10/h1-4H2,(H2,7,9).
What are the key properties of 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 218.31 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).