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

C8H15N3OS — CID 65269090

IUPACN-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCCOC)ns1
InChIInChI=1S/C8H15N3OS/c1-3-9-8-10-7(11-13-8)5-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyDZQJMFHOJJRPIZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.55
Rot. Bonds6

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

N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269090) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269090
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCCOC)ns1
InChIInChI=1S/C8H15N3OS/c1-3-9-8-10-7(11-13-8)5-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyDZQJMFHOJJRPIZ-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.55
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 N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine (CID 65269090) is N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CCCOC)ns1.
What is the InChIKey of N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DZQJMFHOJJRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-9-8-10-7(11-13-8)5-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).