(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

C15H23N3O3S — CID 96574681

IUPAC(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3nc(CO)cs3)C2)CN1CCO
InChIInChI=1S/C15H23N3O3S/c19-7-6-17-10-15(4-2-13(17)21)3-1-5-18(11-15)14-16-12(8-20)9-22-14/h9,19-20H,1-8,10-11H2/t15-/m0/s1
InChIKeyASJOYSXZLNGTDV-HNNXBMFYSA-N
MW325.43 g/mol
LogP0.84
Rot. Bonds4

About (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96574681) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96574681
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3nc(CO)cs3)C2)CN1CCO
InChIInChI=1S/C15H23N3O3S/c19-7-6-17-10-15(4-2-13(17)21)3-1-5-18(11-15)14-16-12(8-20)9-22-14/h9,19-20H,1-8,10-11H2/t15-/m0/s1
InChIKeyASJOYSXZLNGTDV-HNNXBMFYSA-N
XLogP0.84
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70760732
(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127274
2-(3-hydroxypropyl)-8-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72868026
1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72883867
2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70732443
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
2-(2-hydroxyethyl)-8-[2-[4-(hydroxymethyl)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70756626
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
2-(2-hydroxyethyl)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72874354

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96574681) is (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(c3nc(CO)cs3)C2)CN1CCO.
What is the InChIKey of (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ASJOYSXZLNGTDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-7-6-17-10-15(4-2-13(17)21)3-1-5-18(11-15)14-16-12(8-20)9-22-14/h9,19-20H,1-8,10-11H2/t15-/m0/s1.
What are the key properties of (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 325.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96574681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).