N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

C8H9N3OS — CID 164649587

IUPACN-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCc2ccoc2)n1
InChIInChI=1S/C8H9N3OS/c1(7-2-4-12-5-7)3-9-8-10-6-11-13-8/h2,4-6H,1,3H2,(H,9,10,11)
InChIKeyJLIINNHVZSCKOC-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 164649587) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID164649587
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCc2ccoc2)n1
InChIInChI=1S/C8H9N3OS/c1(7-2-4-12-5-7)3-9-8-10-6-11-13-8/h2,4-6H,1,3H2,(H,9,10,11)
InChIKeyJLIINNHVZSCKOC-UHFFFAOYSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 164649587) is N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is c1nsc(NCCc2ccoc2)n1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JLIINNHVZSCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1(7-2-4-12-5-7)3-9-8-10-6-11-13-8/h2,4-6H,1,3H2,(H,9,10,11).
What are the key properties of N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 195.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 164649587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).