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

C8H9N3OS — CID 79084485

IUPAC5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1ccc(-c2nc(N)ns2)o1
InChIInChI=1S/C8H9N3OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3,(H2,9,11)
InChIKeyMOPFWOBQDLSNTR-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.94
Rot. Bonds2

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

5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 79084485) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine
PubChem CID79084485
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1ccc(-c2nc(N)ns2)o1
InChIInChI=1S/C8H9N3OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3,(H2,9,11)
InChIKeyMOPFWOBQDLSNTR-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine (CID 79084485) is 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine is CCc1ccc(-c2nc(N)ns2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is MOPFWOBQDLSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3,(H2,9,11).
What are the key properties of 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine?
5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 79084485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).