3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine

C11H20N4OS — CID 65272782

IUPAC3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9-14-11(17-15-9)13-5-2-8-16-10-3-6-12-7-4-10/h10,12H,2-8H2,1H3,(H,13,14,15)
InChIKeyMORBDJOSHMASDG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.42
Rot. Bonds6

About 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65272782) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65272782
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9-14-11(17-15-9)13-5-2-8-16-10-3-6-12-7-4-10/h10,12H,2-8H2,1H3,(H,13,14,15)
InChIKeyMORBDJOSHMASDG-UHFFFAOYSA-N
XLogP1.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.42
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

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
3-methyl-N-[3-(oxan-4-yloxy)propyl]-1,2,4-thiadiazol-5-amine
CID 136528519
N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305355
N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305356
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxypropan-1-amine
CID 107305431
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanamine
CID 107306278
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)piperidin-4-amine
CID 126822866
3-methyl-N-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267446
[4-(3-Methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65267492
3-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65267511
N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267619
3-methyl-N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267813

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine (CID 65272782) is 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCOC2CCNCC2)n1.
What is the InChIKey of 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MORBDJOSHMASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9-14-11(17-15-9)13-5-2-8-16-10-3-6-12-7-4-10/h10,12H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).