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

C11H21N3OS — CID 65280141

IUPAC3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCCc1nsc(OCC(N)(CC)CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)15-8-11(12,5-2)6-3/h4-8,12H2,1-3H3
InChIKeyHGEVDCBJPGYCEB-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.39
Rot. Bonds7

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

3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (PubChem CID 65280141) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
PubChem CID65280141
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCCc1nsc(OCC(N)(CC)CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)15-8-11(12,5-2)6-3/h4-8,12H2,1-3H3
InChIKeyHGEVDCBJPGYCEB-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (CID 65280141) is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is CCCc1nsc(OCC(N)(CC)CC)n1.
What is the InChIKey of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The InChIKey is HGEVDCBJPGYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)15-8-11(12,5-2)6-3/h4-8,12H2,1-3H3.
What are the key properties of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine has a molecular weight of 243.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 65280141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).