3-ethyl-1,2-thiazole-4,5-diamine

C5H9N3S — CID 69334000

IUPAC3-ethyl-1,2-thiazole-4,5-diamine
SMILESCCc1nsc(N)c1N
InChIInChI=1S/C5H9N3S/c1-2-3-4(6)5(7)9-8-3/h2,6-7H2,1H3
InChIKeyONKYVLJBAYSAJJ-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.87
Rot. Bonds1

About 3-ethyl-1,2-thiazole-4,5-diamine

3-ethyl-1,2-thiazole-4,5-diamine (PubChem CID 69334000) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 3-ethyl-1,2-thiazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1,2-thiazole-4,5-diamine
PubChem CID69334000
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name3-ethyl-1,2-thiazole-4,5-diamine
SMILESCCc1nsc(N)c1N
InChIInChI=1S/C5H9N3S/c1-2-3-4(6)5(7)9-8-3/h2,6-7H2,1H3
InChIKeyONKYVLJBAYSAJJ-UHFFFAOYSA-N
XLogP0.87
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-thiazole-4,5-diamine?
The IUPAC name of 3-ethyl-1,2-thiazole-4,5-diamine (CID 69334000) is 3-ethyl-1,2-thiazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1,2-thiazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1,2-thiazole-4,5-diamine is CCc1nsc(N)c1N.
What is the InChIKey of 3-ethyl-1,2-thiazole-4,5-diamine?
The InChIKey is ONKYVLJBAYSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-3-4(6)5(7)9-8-3/h2,6-7H2,1H3.
What are the key properties of 3-ethyl-1,2-thiazole-4,5-diamine?
3-ethyl-1,2-thiazole-4,5-diamine has a molecular weight of 143.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-thiazole-4,5-diamine is sourced from PubChem (CID 69334000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).