5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine

C6H10N4S2 — CID 66280349

IUPAC5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H10N4S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,9)
InChIKeyBOHVPGKFXMBYGB-UHFFFAOYSA-N
MW202.31 g/mol
LogP0.67
Rot. Bonds1

About 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine

5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine (PubChem CID 66280349) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine
PubChem CID66280349
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H10N4S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,9)
InChIKeyBOHVPGKFXMBYGB-UHFFFAOYSA-N
XLogP0.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine (CID 66280349) is 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCSCC2)n1.
What is the InChIKey of 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine?
The InChIKey is BOHVPGKFXMBYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,9).
What are the key properties of 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine?
5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine has a molecular weight of 202.31 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66280349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).