9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane

C12H19N3OS — CID 71916040

IUPAC9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1nsc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C12H19N3OS/c1-2-10-13-11(17-14-10)15-7-8-16-12(9-15)5-3-4-6-12/h2-9H2,1H3
InChIKeyBMLGJEWXKRBQFY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.25
Rot. Bonds2

About 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane

9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71916040) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71916040
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1nsc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C12H19N3OS/c1-2-10-13-11(17-14-10)15-7-8-16-12(9-15)5-3-4-6-12/h2-9H2,1H3
InChIKeyBMLGJEWXKRBQFY-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
5-[4-(Cyclopentylmethoxy)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 121529097
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
9-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71968532
3-Cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 75506049
(3S)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827282
3-(1-ethoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 113563437
3-(1-ethoxycyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 113563453
1-[[Methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 113654876
1-[3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol
CID 114268383
[4-Ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 114284122

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (CID 71916040) is 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is CCc1nsc(N2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is BMLGJEWXKRBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10-13-11(17-14-10)15-7-8-16-12(9-15)5-3-4-6-12/h2-9H2,1H3.
What are the key properties of 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 253.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71916040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).