1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

C12H15N5O3S — CID 110384830

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C12H15N5O3S/c1-8-13-14-11-17(8)15-9(21-11)10(18)16-4-2-12(3-5-16)19-6-7-20-12/h2-7H2,1H3
InChIKeyRYKHVQJSOLCGID-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.47
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (PubChem CID 110384830) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
PubChem CID110384830
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C12H15N5O3S/c1-8-13-14-11-17(8)15-9(21-11)10(18)16-4-2-12(3-5-16)19-6-7-20-12/h2-7H2,1H3
InChIKeyRYKHVQJSOLCGID-UHFFFAOYSA-N
XLogP0.47
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384860
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone
CID 82511808
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384861
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
(4-chloro-1,3-dimethylpyrazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 4768606
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-one
CID 110386028
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (CID 110384830) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is Cc1nnc2sc(C(=O)N3CCC4(CC3)OCCO4)nn12.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The InChIKey is RYKHVQJSOLCGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-13-14-11-17(8)15-9(21-11)10(18)16-4-2-12(3-5-16)19-6-7-20-12/h2-7H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone has a molecular weight of 309.35 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is sourced from PubChem (CID 110384830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).