N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H22N4OS — CID 65275898

IUPACN-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-15-12(18-16-11)14-7-8-17-10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKISMCYKYSQJZFK-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.84
Rot. Bonds6

About N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65275898) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65275898
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-15-12(18-16-11)14-7-8-17-10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKISMCYKYSQJZFK-UHFFFAOYSA-N
XLogP1.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65275898) is N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCOC2CCNCC2)n1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KISMCYKYSQJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)11-15-12(18-16-11)14-7-8-17-10-3-5-13-6-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-piperidin-4-yloxyethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 270.40 g/mol, XLogP of 1.84, 6 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)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).