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

C6H11N3OS — CID 51342161

IUPAC5-(propoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCOCc1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-2-3-10-4-5-8-9-6(7)11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyCQQHGFLOLXILBH-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.05
Rot. Bonds4

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

5-(propoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 51342161) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(propoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID51342161
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-(propoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCOCc1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-2-3-10-4-5-8-9-6(7)11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyCQQHGFLOLXILBH-UHFFFAOYSA-N
XLogP1.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.05
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-(propoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine (CID 51342161) is 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine is CCCOCc1nnc(N)s1.
What is the InChIKey of 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CQQHGFLOLXILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-3-10-4-5-8-9-6(7)11-5/h2-4H2,1H3,(H2,7,9).
What are the key properties of 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(propoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 173.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 51342161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).