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

C10H18N4OS — CID 82693043

IUPAC2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCc1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C10H18N4OS/c1-8-12-10(16-13-8)14-5-2-9(3-6-14)15-7-4-11/h9H,2-7,11H2,1H3
InChIKeyPCNNHQCFPFIMCL-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.79
Rot. Bonds4

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

2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (PubChem CID 82693043) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
PubChem CID82693043
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCc1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C10H18N4OS/c1-8-12-10(16-13-8)14-5-2-9(3-6-14)15-7-4-11/h9H,2-7,11H2,1H3
InChIKeyPCNNHQCFPFIMCL-UHFFFAOYSA-N
XLogP0.79
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (CID 82693043) is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is Cc1nsc(N2CCC(OCCN)CC2)n1.
What is the InChIKey of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is PCNNHQCFPFIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8-12-10(16-13-8)14-5-2-9(3-6-14)15-7-4-11/h9H,2-7,11H2,1H3.
What are the key properties of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 242.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82693043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).