3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine

C7H13N3OS — CID 65268687

IUPAC3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCCOC)ns1
InChIInChI=1S/C7H13N3OS/c1-8-7-9-6(10-12-7)4-3-5-11-2/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyVTAUSQUTQXPHTF-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.16
Rot. Bonds5

About 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine

3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268687) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268687
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCCOC)ns1
InChIInChI=1S/C7H13N3OS/c1-8-7-9-6(10-12-7)4-3-5-11-2/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyVTAUSQUTQXPHTF-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 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 ≤ 51.16
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 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 65268687) is 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(CCCOC)ns1.
What is the InChIKey of 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VTAUSQUTQXPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-8-7-9-6(10-12-7)4-3-5-11-2/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).