[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

C9H11N3OS — CID 79084311

IUPAC[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCc1ccc(-c2nnc(CN)s2)o1
InChIInChI=1S/C9H11N3OS/c1-2-6-3-4-7(13-6)9-12-11-8(5-10)14-9/h3-4H,2,5,10H2,1H3
InChIKeyJTNCIJREEOOSKW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.82
Rot. Bonds3

About [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 79084311) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID79084311
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCc1ccc(-c2nnc(CN)s2)o1
InChIInChI=1S/C9H11N3OS/c1-2-6-3-4-7(13-6)9-12-11-8(5-10)14-9/h3-4H,2,5,10H2,1H3
InChIKeyJTNCIJREEOOSKW-UHFFFAOYSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.82
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)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 79084311) is [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine is CCc1ccc(-c2nnc(CN)s2)o1.
What is the InChIKey of [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is JTNCIJREEOOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-6-3-4-7(13-6)9-12-11-8(5-10)14-9/h3-4H,2,5,10H2,1H3.
What are the key properties of [5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.82, 3 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)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 79084311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).