5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione

C11H14N4O2S — CID 11076375

IUPAC5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2ccco2)[nH]n1CN1CCOCC1
InChIInChI=1S/C11H14N4O2S/c18-11-12-10(9-2-1-5-17-9)13-15(11)8-14-3-6-16-7-4-14/h1-2,5H,3-4,6-8H2,(H,12,13,18)
InChIKeyFENBUZUKQWLMJO-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.49
Rot. Bonds3

About 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione

5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione (PubChem CID 11076375) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione
PubChem CID11076375
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2ccco2)[nH]n1CN1CCOCC1
InChIInChI=1S/C11H14N4O2S/c18-11-12-10(9-2-1-5-17-9)13-15(11)8-14-3-6-16-7-4-14/h1-2,5H,3-4,6-8H2,(H,12,13,18)
InChIKeyFENBUZUKQWLMJO-UHFFFAOYSA-N
XLogP1.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.49
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 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione?
The IUPAC name of 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione (CID 11076375) is 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione is S=c1nc(-c2ccco2)[nH]n1CN1CCOCC1.
What is the InChIKey of 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione?
The InChIKey is FENBUZUKQWLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c18-11-12-10(9-2-1-5-17-9)13-15(11)8-14-3-6-16-7-4-14/h1-2,5H,3-4,6-8H2,(H,12,13,18).
What are the key properties of 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione?
5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione has a molecular weight of 266.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-thione is sourced from PubChem (CID 11076375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).