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

C20H23N3O3S2 — CID 71687431

IUPAC8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
SMILESCSc1nc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)cs1
InChIInChI=1S/C20H23N3O3S2/c1-27-19-21-16(14-28-19)18(25)22-11-9-20(10-12-22)8-7-17(24)23(20)26-13-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyALYXLZJAKASVGI-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.59
Rot. Bonds5

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

8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 71687431) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
PubChem CID71687431
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
SMILESCSc1nc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)cs1
InChIInChI=1S/C20H23N3O3S2/c1-27-19-21-16(14-28-19)18(25)22-11-9-20(10-12-22)8-7-17(24)23(20)26-13-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyALYXLZJAKASVGI-UHFFFAOYSA-N
XLogP3.59
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56852502
8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
CID 56853173
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131691590
1-methoxy-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56855930
(2S)-6-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324204
1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56919195
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylate
CID 42594729
ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylate
CID 42594730
(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695817
(2-benzyl-1,3-thiazol-4-yl)-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95712781
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one (CID 71687431) is 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one is CSc1nc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)cs1.
What is the InChIKey of 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ALYXLZJAKASVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-27-19-21-16(14-28-19)18(25)22-11-9-20(10-12-22)8-7-17(24)23(20)26-13-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3.
What are the key properties of 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 417.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 71687431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).