5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine

C8H14N4S2 — CID 66278594

IUPAC5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CN(c2nc(N)ns2)CC(C)S1
InChIInChI=1S/C8H14N4S2/c1-5-3-12(4-6(2)13-5)8-10-7(9)11-14-8/h5-6H,3-4H2,1-2H3,(H2,9,11)
InChIKeyWARDZNIJJGUSGD-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.45
Rot. Bonds1

About 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine

5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66278594) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66278594
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CN(c2nc(N)ns2)CC(C)S1
InChIInChI=1S/C8H14N4S2/c1-5-3-12(4-6(2)13-5)8-10-7(9)11-14-8/h5-6H,3-4H2,1-2H3,(H2,9,11)
InChIKeyWARDZNIJJGUSGD-UHFFFAOYSA-N
XLogP1.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (CID 66278594) is 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is CC1CN(c2nc(N)ns2)CC(C)S1.
What is the InChIKey of 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WARDZNIJJGUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-5-3-12(4-6(2)13-5)8-10-7(9)11-14-8/h5-6H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 230.36 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).