(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine

C5H9N3S — CID 46318317

IUPAC(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCCc1nnc(CN)s1
InChIInChI=1S/C5H9N3S/c1-2-4-7-8-5(3-6)9-4/h2-3,6H2,1H3
InChIKeyINWYCJDFWDQHBW-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.56
Rot. Bonds2

About (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine

(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 46318317) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID46318317
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCCc1nnc(CN)s1
InChIInChI=1S/C5H9N3S/c1-2-4-7-8-5(3-6)9-4/h2-3,6H2,1H3
InChIKeyINWYCJDFWDQHBW-UHFFFAOYSA-N
XLogP0.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine (CID 46318317) is (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine is CCc1nnc(CN)s1.
What is the InChIKey of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is INWYCJDFWDQHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-4-7-8-5(3-6)9-4/h2-3,6H2,1H3.
What are the key properties of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine has a molecular weight of 143.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 46318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).