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

C9H17N3OS — CID 65268645

IUPAC3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CCCOC)ns1
InChIInChI=1S/C9H17N3OS/c1-3-6-10-9-11-8(12-14-9)5-4-7-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyCLPCPTOMIAPGFC-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.94
Rot. Bonds7

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

3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268645) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268645
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CCCOC)ns1
InChIInChI=1S/C9H17N3OS/c1-3-6-10-9-11-8(12-14-9)5-4-7-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyCLPCPTOMIAPGFC-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.94
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-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268645) is 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CCCOC)ns1.
What is the InChIKey of 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CLPCPTOMIAPGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-6-10-9-11-8(12-14-9)5-4-7-13-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).