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

C7H13N3OS — CID 64538814

IUPAC5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCCCOCCc1nc(N)ns1
InChIInChI=1S/C7H13N3OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3,(H2,8,10)
InChIKeyZBOFYCROHUETFD-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.09
Rot. Bonds5

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

5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64538814) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine
PubChem CID64538814
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCCCOCCc1nc(N)ns1
InChIInChI=1S/C7H13N3OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3,(H2,8,10)
InChIKeyZBOFYCROHUETFD-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine (CID 64538814) is 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine is CCCOCCc1nc(N)ns1.
What is the InChIKey of 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is ZBOFYCROHUETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3,(H2,8,10).
What are the key properties of 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine?
5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 187.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64538814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).