1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride

C15H24ClN3O2S — CID 171317269

IUPAC1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCc1nc(CC(=O)N2CCC[C@]3(CNCC[C@@H]3O)C2)cs1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-17-12(8-21-11)7-14(20)18-6-2-4-15(10-18)9-16-5-3-13(15)19;/h8,13,16,19H,2-7,9-10H2,1H3;1H/t13-,15-;/m0./s1
InChIKeyKHHIUJHFNAANKN-SLHAJLBXSA-N
MW345.90 g/mol
LogP1.38
Rot. Bonds2

About 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride

1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride (PubChem CID 171317269) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride
PubChem CID171317269
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCc1nc(CC(=O)N2CCC[C@]3(CNCC[C@@H]3O)C2)cs1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-17-12(8-21-11)7-14(20)18-6-2-4-15(10-18)9-16-5-3-13(15)19;/h8,13,16,19H,2-7,9-10H2,1H3;1H/t13-,15-;/m0./s1
InChIKeyKHHIUJHFNAANKN-SLHAJLBXSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164688914
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-4-(1,2,4-triazol-1-yl)butan-1-one;hydrochloride
CID 171317206
(5S)-7-(cyclopropylmethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97153213
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
1-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45171451
1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 171906400
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110156506
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982484
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
1-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 155990996

Frequently Asked Questions

What is the IUPAC name of 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride (CID 171317269) is 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride is Cc1nc(CC(=O)N2CCC[C@]3(CNCC[C@@H]3O)C2)cs1.Cl.
What is the InChIKey of 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The InChIKey is KHHIUJHFNAANKN-SLHAJLBXSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-11-17-12(8-21-11)7-14(20)18-6-2-4-15(10-18)9-16-5-3-13(15)19;/h8,13,16,19H,2-7,9-10H2,1H3;1H/t13-,15-;/m0./s1.
What are the key properties of 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride?
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 171317269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).