2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C8H9N3OS — CID 64982952

IUPAC2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ccco2)s1
InChIInChI=1S/C8H9N3OS/c9-4-3-7-10-11-8(13-7)6-2-1-5-12-6/h1-2,5H,3-4,9H2
InChIKeySWJYUECKRYPYKK-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.30
Rot. Bonds3

About 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 64982952) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID64982952
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ccco2)s1
InChIInChI=1S/C8H9N3OS/c9-4-3-7-10-11-8(13-7)6-2-1-5-12-6/h1-2,5H,3-4,9H2
InChIKeySWJYUECKRYPYKK-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 64982952) is 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is NCCc1nnc(-c2ccco2)s1.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is SWJYUECKRYPYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-4-3-7-10-11-8(13-7)6-2-1-5-12-6/h1-2,5H,3-4,9H2.
What are the key properties of 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 195.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 64982952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).