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

C11H21N3OS — CID 65280142

IUPAC3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-5-11(12,6-2)7-15-10-13-9(8(3)4)14-16-10/h8H,5-7,12H2,1-4H3
InChIKeyLGLQCLJOSAHFOB-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.56
Rot. Bonds6

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

3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (PubChem CID 65280142) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
PubChem CID65280142
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-5-11(12,6-2)7-15-10-13-9(8(3)4)14-16-10/h8H,5-7,12H2,1-4H3
InChIKeyLGLQCLJOSAHFOB-UHFFFAOYSA-N
XLogP2.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine (CID 65280142) is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is CCC(N)(CC)COc1nc(C(C)C)ns1.
What is the InChIKey of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
The InChIKey is LGLQCLJOSAHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-11(12,6-2)7-15-10-13-9(8(3)4)14-16-10/h8H,5-7,12H2,1-4H3.
What are the key properties of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine?
3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine has a molecular weight of 243.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 65280142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).