4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

C10H12N4OS2 — CID 83017716

IUPAC4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(-c2cccs2)n1N1CCOCC1
InChIInChI=1S/C10H12N4OS2/c16-10-12-11-9(8-2-1-7-17-8)14(10)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H,12,16)
InChIKeyOAOFHUCNFHPZEU-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.64
Rot. Bonds2

About 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (PubChem CID 83017716) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
PubChem CID83017716
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(-c2cccs2)n1N1CCOCC1
InChIInChI=1S/C10H12N4OS2/c16-10-12-11-9(8-2-1-7-17-8)14(10)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H,12,16)
InChIKeyOAOFHUCNFHPZEU-UHFFFAOYSA-N
XLogP1.64
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CID 83017716) is 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(-c2cccs2)n1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is OAOFHUCNFHPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c16-10-12-11-9(8-2-1-7-17-8)14(10)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H,12,16).
What are the key properties of 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 268.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 83017716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).