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

C12H21N3OS — CID 65274648

IUPAC5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-14-12(17-15-11)16-8-6-10-5-3-4-7-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyOZSUKJXSKRVDNX-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.57
Rot. Bonds5

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

5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 65274648) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID65274648
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-14-12(17-15-11)16-8-6-10-5-3-4-7-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyOZSUKJXSKRVDNX-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.57
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
3-Methyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole
CID 65273277
3-Methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65273280
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
3-Tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65274701
5-Piperidin-4-yloxy-3-propyl-1,2,4-thiadiazole
CID 65274752
5-Piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole
CID 65274753

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 65274648) is 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is OZSUKJXSKRVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)11-14-12(17-15-11)16-8-6-10-5-3-4-7-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 255.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65274648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).