3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C17H18N4O2S — CID 131653725

IUPAC3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3cscn3)CC2)CC1c1cccnc1
InChIInChI=1S/C17H18N4O2S/c22-15-13(12-2-1-5-18-9-12)8-17(20-15)3-6-21(7-4-17)16(23)14-10-24-11-19-14/h1-2,5,9-11,13H,3-4,6-8H2,(H,20,22)
InChIKeyTVZAORGGUDGKTG-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.82
Rot. Bonds2

About 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131653725) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131653725
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3cscn3)CC2)CC1c1cccnc1
InChIInChI=1S/C17H18N4O2S/c22-15-13(12-2-1-5-18-9-12)8-17(20-15)3-6-21(7-4-17)16(23)14-10-24-11-19-14/h1-2,5,9-11,13H,3-4,6-8H2,(H,20,22)
InChIKeyTVZAORGGUDGKTG-UHFFFAOYSA-N
XLogP1.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391633
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
8-(2-methylbenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842799
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469534
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95811403
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131653725) is 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(C(=O)c3cscn3)CC2)CC1c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TVZAORGGUDGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15-13(12-2-1-5-18-9-12)8-17(20-15)3-6-21(7-4-17)16(23)14-10-24-11-19-14/h1-2,5,9-11,13H,3-4,6-8H2,(H,20,22).
What are the key properties of 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.42 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131653725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).