3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole

C10H17N3OS — CID 65273280

IUPAC3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-7-5-9-4-2-3-6-11-9/h9,11H,2-7H2,1H3
InChIKeyDSUBNKPUZRTPIP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.76
Rot. Bonds4

About 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole

3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (PubChem CID 65273280) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
PubChem CID65273280
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-7-5-9-4-2-3-6-11-9/h9,11H,2-7H2,1H3
InChIKeyDSUBNKPUZRTPIP-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305905
5-(Piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305908
3-Methyl-5-(piperidin-4-yloxy)-1,2,4-thiadiazole
CID 65273159
3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 65273338
3-Methyl-5-(piperidin-3-ylmethoxy)-1,2,4-thiadiazole
CID 65273340
3-Methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole
CID 65273341
3-Methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole
CID 65273400
3-Ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65274591
3-Cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65274646
5-(2-Piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole
CID 65274647
5-(2-Piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole
CID 65274648
3-Ethyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
CID 65274700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (CID 65273280) is 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is Cc1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The InChIKey is DSUBNKPUZRTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-7-5-9-4-2-3-6-11-9/h9,11H,2-7H2,1H3.
What are the key properties of 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65273280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).