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

C9H11N3OS — CID 114823788

IUPAC2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCc1cc(-c2nnc(CCN)s2)co1
InChIInChI=1S/C9H11N3OS/c1-6-4-7(5-13-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyAFVOQLCVWANVFO-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.61
Rot. Bonds3

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

2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 114823788) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID114823788
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCc1cc(-c2nnc(CCN)s2)co1
InChIInChI=1S/C9H11N3OS/c1-6-4-7(5-13-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyAFVOQLCVWANVFO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 114823788) is 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is Cc1cc(-c2nnc(CCN)s2)co1.
What is the InChIKey of 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is AFVOQLCVWANVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-4-7(5-13-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 209.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 114823788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).