(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

C20H27N3O2S — CID 124810668

IUPAC(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOc1ccccn1
InChIInChI=1S/C20H27N3O2S/c1-16-18(26-15-22-16)14-23-10-7-20(8-11-23)17(6-13-25-20)5-12-24-19-4-2-3-9-21-19/h2-4,9,15,17H,5-8,10-14H2,1H3/t17-/m1/s1
InChIKeyPHSHVCHENBXTPL-QGZVFWFLSA-N
MW373.52 g/mol
LogP3.69
Rot. Bonds6

About (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124810668) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124810668
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOc1ccccn1
InChIInChI=1S/C20H27N3O2S/c1-16-18(26-15-22-16)14-23-10-7-20(8-11-23)17(6-13-25-20)5-12-24-19-4-2-3-9-21-19/h2-4,9,15,17H,5-8,10-14H2,1H3/t17-/m1/s1
InChIKeyPHSHVCHENBXTPL-QGZVFWFLSA-N
XLogP3.69
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
8-[(1-ethylpyrazol-4-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131649042
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155868970
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 124793389
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640842
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 124796583
(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783528
4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131659276
N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
CID 131677276

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124810668) is (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOc1ccccn1.
What is the InChIKey of (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PHSHVCHENBXTPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-18(26-15-22-16)14-23-10-7-20(8-11-23)17(6-13-25-20)5-12-24-19-4-2-3-9-21-19/h2-4,9,15,17H,5-8,10-14H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 373.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).