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

C16H23N5O3S — CID 110386028

IUPAC1-(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
SMILESCC(C)c1nnc2sc(CCC(=O)N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C16H23N5O3S/c1-11(2)14-17-18-15-21(14)19-12(25-15)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3
InChIKeyGZJVOPIZUMALGH-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.61
Rot. Bonds4

About 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

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 (PubChem CID 110386028) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID110386028
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-(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
SMILESCC(C)c1nnc2sc(CCC(=O)N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C16H23N5O3S/c1-11(2)14-17-18-15-21(14)19-12(25-15)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3
InChIKeyGZJVOPIZUMALGH-UHFFFAOYSA-N
XLogP1.61
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
N-pentyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386042
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110613833
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
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyldiazirin-3-yl)propan-1-one
CID 172882467
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
CID 51095375
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648806
5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320174
3-propan-2-yl-6-[(1-propylpiperidin-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56877718
N-[(3-methylphenyl)methyl]-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385998
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289401

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nnc2sc(CCC(=O)N3CCC4(CC3)OCCO4)nn12.
What is the InChIKey of 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?
The InChIKey is GZJVOPIZUMALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11(2)14-17-18-15-21(14)19-12(25-15)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 365.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110386028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).