5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

C12H19N3OS — CID 133480904

IUPAC5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCCC3(CC3)C2)n1
InChIInChI=1S/C12H19N3OS/c1-16-8-3-10-13-11(17-14-10)15-7-2-4-12(9-15)5-6-12/h2-9H2,1H3
InChIKeyWBJNBPHEHPOUNO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.11
Rot. Bonds4

About 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 133480904) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID133480904
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCCC3(CC3)C2)n1
InChIInChI=1S/C12H19N3OS/c1-16-8-3-10-13-11(17-14-10)15-7-2-4-12(9-15)5-6-12/h2-9H2,1H3
InChIKeyWBJNBPHEHPOUNO-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
CID 133410736
2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
CID 133479707
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
5-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369826
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133372821
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
3-(2-methoxyethyl)-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 126783869
5-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369822
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 154575557

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 133480904) is 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCCC3(CC3)C2)n1.
What is the InChIKey of 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is WBJNBPHEHPOUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-16-8-3-10-13-11(17-14-10)15-7-2-4-12(9-15)5-6-12/h2-9H2,1H3.
What are the key properties of 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 253.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133480904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).