3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine

C9H17N3OS — CID 65273462

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-9(10,5-2)6-13-8-11-7(3)12-14-8/h4-6,10H2,1-3H3
InChIKeyHEIUWDYBJSNYMF-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.74
Rot. Bonds5

About 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine

3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (PubChem CID 65273462) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
PubChem CID65273462
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-9(10,5-2)6-13-8-11-7(3)12-14-8/h4-6,10H2,1-3H3
InChIKeyHEIUWDYBJSNYMF-UHFFFAOYSA-N
XLogP1.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (CID 65273462) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is CCC(N)(CC)COc1nc(C)ns1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The InChIKey is HEIUWDYBJSNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-9(10,5-2)6-13-8-11-7(3)12-14-8/h4-6,10H2,1-3H3.
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine has a molecular weight of 215.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 65273462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).