8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C12H15N3O2S — CID 113246543

IUPAC8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cncs3)CC2)CN1
InChIInChI=1S/C12H15N3O2S/c16-10-5-12(7-14-10)1-3-15(4-2-12)11(17)9-6-13-8-18-9/h6,8H,1-5,7H2,(H,14,16)
InChIKeyYFJOUWBKOYLRRI-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.89
Rot. Bonds1

About 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 113246543) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID113246543
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cncs3)CC2)CN1
InChIInChI=1S/C12H15N3O2S/c16-10-5-12(7-14-10)1-3-15(4-2-12)11(17)9-6-13-8-18-9/h6,8H,1-5,7H2,(H,14,16)
InChIKeyYFJOUWBKOYLRRI-UHFFFAOYSA-N
XLogP0.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124962828
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 77109646
2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 139001065
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 113246543) is 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cncs3)CC2)CN1.
What is the InChIKey of 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YFJOUWBKOYLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-10-5-12(7-14-10)1-3-15(4-2-12)11(17)9-6-13-8-18-9/h6,8H,1-5,7H2,(H,14,16).
What are the key properties of 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 265.34 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 113246543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).