5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione

C8H14N4OS2 — CID 16767731

IUPAC5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NCCN2CCOCC2)s1
InChIInChI=1S/C8H14N4OS2/c14-8-11-10-7(15-8)9-1-2-12-3-5-13-6-4-12/h1-6H2,(H,9,10)(H,11,14)
InChIKeyJGQRQSINSZCDCR-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.94
Rot. Bonds4

About 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione

5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 16767731) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID16767731
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NCCN2CCOCC2)s1
InChIInChI=1S/C8H14N4OS2/c14-8-11-10-7(15-8)9-1-2-12-3-5-13-6-4-12/h1-6H2,(H,9,10)(H,11,14)
InChIKeyJGQRQSINSZCDCR-UHFFFAOYSA-N
XLogP0.94
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione (CID 16767731) is 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(NCCN2CCOCC2)s1.
What is the InChIKey of 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is JGQRQSINSZCDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c14-8-11-10-7(15-8)9-1-2-12-3-5-13-6-4-12/h1-6H2,(H,9,10)(H,11,14).
What are the key properties of 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 246.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 16767731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).