[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

C19H22N2O2S — CID 129347628

IUPAC[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CC[C@H](O)CC34CCC4)cc2)cs1
InChIInChI=1S/C19H22N2O2S/c1-13-20-17(12-24-13)14-3-5-15(6-4-14)18(23)21-10-7-16(22)11-19(21)8-2-9-19/h3-6,12,16,22H,2,7-11H2,1H3/t16-/m0/s1
InChIKeyATQGISLUHITISI-INIZCTEOSA-N
MW342.46 g/mol
LogP3.64
Rot. Bonds2

About [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 129347628) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID129347628
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CC[C@H](O)CC34CCC4)cc2)cs1
InChIInChI=1S/C19H22N2O2S/c1-13-20-17(12-24-13)14-3-5-15(6-4-14)18(23)21-10-7-16(22)11-19(21)8-2-9-19/h3-6,12,16,22H,2,7-11H2,1H3/t16-/m0/s1
InChIKeyATQGISLUHITISI-INIZCTEOSA-N
XLogP3.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 126830359
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 138004093
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (CID 129347628) is [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is Cc1nc(-c2ccc(C(=O)N3CC[C@H](O)CC34CCC4)cc2)cs1.
What is the InChIKey of [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is ATQGISLUHITISI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-20-17(12-24-13)14-3-5-15(6-4-14)18(23)21-10-7-16(22)11-19(21)8-2-9-19/h3-6,12,16,22H,2,7-11H2,1H3/t16-/m0/s1.
What are the key properties of [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 129347628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).