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

C5H9N3OS — CID 64545277

IUPAC5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCOCCc1nc(N)ns1
InChIInChI=1S/C5H9N3OS/c1-9-3-2-4-7-5(6)8-10-4/h2-3H2,1H3,(H2,6,8)
InChIKeyJFPFKNMWRHPQQS-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.31
Rot. Bonds3

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

5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64545277) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine
PubChem CID64545277
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCOCCc1nc(N)ns1
InChIInChI=1S/C5H9N3OS/c1-9-3-2-4-7-5(6)8-10-4/h2-3H2,1H3,(H2,6,8)
InChIKeyJFPFKNMWRHPQQS-UHFFFAOYSA-N
XLogP0.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine (CID 64545277) is 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine is COCCc1nc(N)ns1.
What is the InChIKey of 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is JFPFKNMWRHPQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-9-3-2-4-7-5(6)8-10-4/h2-3H2,1H3,(H2,6,8).
What are the key properties of 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine?
5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 159.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64545277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).