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

C10H18N4OS — CID 65208215

IUPAC5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOC2CCNCC2)s1
InChIInChI=1S/C10H18N4OS/c1-8-13-14-10(16-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,14)
InChIKeyNVYHWLLJHPXYEK-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.03
Rot. Bonds5

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

5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65208215) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID65208215
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOC2CCNCC2)s1
InChIInChI=1S/C10H18N4OS/c1-8-13-14-10(16-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,14)
InChIKeyNVYHWLLJHPXYEK-UHFFFAOYSA-N
XLogP1.03
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.03
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 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine (CID 65208215) is 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCOC2CCNCC2)s1.
What is the InChIKey of 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NVYHWLLJHPXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8-13-14-10(16-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 242.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).