(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

C18H23N3O2S — CID 124807188

IUPAC(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(OC[C@@H]2CCC[C@@]23CN(Cc2nccs2)CCO3)nc1
InChIInChI=1S/C18H23N3O2S/c1-2-7-19-16(5-1)22-13-15-4-3-6-18(15)14-21(9-10-23-18)12-17-20-8-11-24-17/h1-2,5,7-8,11,15H,3-4,6,9-10,12-14H2/t15-,18+/m0/s1
InChIKeyFHMBCYPACBFNCJ-MAUKXSAKSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds5

About (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 124807188) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID124807188
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(OC[C@@H]2CCC[C@@]23CN(Cc2nccs2)CCO3)nc1
InChIInChI=1S/C18H23N3O2S/c1-2-7-19-16(5-1)22-13-15-4-3-6-18(15)14-21(9-10-23-18)12-17-20-8-11-24-17/h1-2,5,7-8,11,15H,3-4,6,9-10,12-14H2/t15-,18+/m0/s1
InChIKeyFHMBCYPACBFNCJ-MAUKXSAKSA-N
XLogP2.99
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4aR,8aS)-4a-(pyridin-2-yloxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364255
(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124782593
pyridazin-4-yl-[(4S,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451918
pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97386036
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
(3S,5S)-3-pyridin-2-yloxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419752
(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 97452416
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124911905
(4S,5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485043
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124781639
(4S,5S)-9-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375156
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419554

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (CID 124807188) is (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is c1ccc(OC[C@@H]2CCC[C@@]23CN(Cc2nccs2)CCO3)nc1.
What is the InChIKey of (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is FHMBCYPACBFNCJ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-7-19-16(5-1)22-13-15-4-3-6-18(15)14-21(9-10-23-18)12-17-20-8-11-24-17/h1-2,5,7-8,11,15H,3-4,6,9-10,12-14H2/t15-,18+/m0/s1.
What are the key properties of (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 345.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 124807188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).