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

C10H19N3OS — CID 65268116

IUPAC3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCCc1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-8(2)7-11-10-12-9(13-15-10)5-4-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyICBQUESOZPNWOX-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.18
Rot. Bonds7

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

3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268116) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268116
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCCc1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-8(2)7-11-10-12-9(13-15-10)5-4-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyICBQUESOZPNWOX-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.18
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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268116) is 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is COCCCc1nsc(NCC(C)C)n1.
What is the InChIKey of 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ICBQUESOZPNWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)7-11-10-12-9(13-15-10)5-4-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.18, 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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).