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

C5H9N3S — CID 82417874

IUPAC(3-ethyl-1,2,4-thiadiazol-5-yl)methanamine
SMILESCCc1nsc(CN)n1
InChIInChI=1S/C5H9N3S/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3
InChIKeyRDOFDGKPZKQMGV-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.56
Rot. Bonds2

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

(3-ethyl-1,2,4-thiadiazol-5-yl)methanamine (PubChem CID 82417874) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1,2,4-thiadiazol-5-yl)methanamine
PubChem CID82417874
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name(3-ethyl-1,2,4-thiadiazol-5-yl)methanamine
SMILESCCc1nsc(CN)n1
InChIInChI=1S/C5H9N3S/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3
InChIKeyRDOFDGKPZKQMGV-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

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Related Compounds

5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
3,3,3-Trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 82394683
1-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399161
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
2-Fluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84022031
2-Methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
CID 130544605
5-Propyl-1,2,4-thiadiazol-3-amine
CID 12246464

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine?
The IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine (CID 82417874) is (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine.
What is the SMILES notation for (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine?
The canonical SMILES for (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine is CCc1nsc(CN)n1.
What is the InChIKey of (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine?
The InChIKey is RDOFDGKPZKQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3.
What are the key properties of (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine?
(3-ethyl-1,2,4-thiadiazol-5-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 (3-ethyl-1,2,4-thiadiazol-5-yl)methanamine is sourced from PubChem (CID 82417874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).