N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine

C9H16N4OS — CID 65275900

IUPACN-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C9H16N4OS/c1-3-10-4-2-8(1)14-6-5-11-9-12-7-13-15-9/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyPFRYIOWJTHIOOT-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.72
Rot. Bonds5

About N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine

N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65275900) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65275900
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C9H16N4OS/c1-3-10-4-2-8(1)14-6-5-11-9-12-7-13-15-9/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyPFRYIOWJTHIOOT-UHFFFAOYSA-N
XLogP0.72
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 63869496
5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 104606342
N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine
CID 104577034
4-chloro-2-(2-piperidin-4-yloxyethylamino)-1,3-thiazole-5-carbonitrile
CID 106596018
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63902488
4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 115355335
N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276095
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398
2-methyl-N-(2-piperidin-4-yloxyethyl)propan-1-amine
CID 63903400
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 106998147

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine (CID 65275900) is N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCCOC2CCNCC2)n1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PFRYIOWJTHIOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-10-4-2-8(1)14-6-5-11-9-12-7-13-15-9/h7-8,10H,1-6H2,(H,11,12,13).
What are the key properties of N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 228.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).