1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

C5H9N3S — CID 20655905

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)N)s1
InChIInChI=1S/C5H9N3S/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKeyLLJVSWLXTLQUJE-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.87
Rot. Bonds1

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 20655905) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID20655905
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)N)s1
InChIInChI=1S/C5H9N3S/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKeyLLJVSWLXTLQUJE-UHFFFAOYSA-N
XLogP0.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 20655905) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is Cc1nnc(C(C)N)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is LLJVSWLXTLQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 143.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 20655905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).