3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine

C6H11N3OS — CID 64539845

IUPAC3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)c1nsc(N)n1
InChIInChI=1S/C6H11N3OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyVOHBCQYAJRUASP-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.22
Rot. Bonds3

About 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine

3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 64539845) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID64539845
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)c1nsc(N)n1
InChIInChI=1S/C6H11N3OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyVOHBCQYAJRUASP-UHFFFAOYSA-N
XLogP1.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine (CID 64539845) is 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine is CCOC(C)c1nsc(N)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VOHBCQYAJRUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 173.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 64539845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).