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

C6H10N4O2S2 — CID 66278356

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C6H10N4O2S2/c7-5-8-6(13-9-5)10-1-3-14(11,12)4-2-10/h1-4H2,(H2,7,9)
InChIKeyUTNXPCCOHFJTDL-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.64
Rot. Bonds1

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

5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66278356) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66278356
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C6H10N4O2S2/c7-5-8-6(13-9-5)10-1-3-14(11,12)4-2-10/h1-4H2,(H2,7,9)
InChIKeyUTNXPCCOHFJTDL-UHFFFAOYSA-N
XLogP-0.64
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (CID 66278356) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is UTNXPCCOHFJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c7-5-8-6(13-9-5)10-1-3-14(11,12)4-2-10/h1-4H2,(H2,7,9).
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 234.31 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).