7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H23N3O2S — CID 45169920

IUPAC7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C20H23N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h1-3,5-6,13,15H,4,7-12,14H2
InChIKeyBMFQIDRNOBJUBC-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.84
Rot. Bonds4

About 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45169920) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45169920
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C20H23N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h1-3,5-6,13,15H,4,7-12,14H2
InChIKeyBMFQIDRNOBJUBC-UHFFFAOYSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
3-phenyl-1-[(5R)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 97393128
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45181888
(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126438724
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119068651

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45169920) is 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cscn1)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1.
What is the InChIKey of 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BMFQIDRNOBJUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h1-3,5-6,13,15H,4,7-12,14H2.
What are the key properties of 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45169920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).