2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine

C12H22N4OS — CID 82692054

IUPAC2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCC(C)c1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8,13H2,1-2H3
InChIKeyKCHHKLIBZCCDKQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine

2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (PubChem CID 82692054) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
PubChem CID82692054
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCC(C)c1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8,13H2,1-2H3
InChIKeyKCHHKLIBZCCDKQ-UHFFFAOYSA-N
XLogP1.61
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (CID 82692054) is 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is CC(C)c1nsc(N2CCC(OCCN)CC2)n1.
What is the InChIKey of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is KCHHKLIBZCCDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).