(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

C18H23N3O2S — CID 97420018

IUPAC(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-3-2-4-15(20-14)11-22-16-9-18(23-12-16)5-7-21(13-18)10-17-19-6-8-24-17/h2-4,6,8,16H,5,7,9-13H2,1H3/t16-,18+/m1/s1
InChIKeyPOWDVGXWNJEYKN-AEFFLSMTSA-N
MW345.47 g/mol
LogP2.80
Rot. Bonds5

About (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97420018) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97420018
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-3-2-4-15(20-14)11-22-16-9-18(23-12-16)5-7-21(13-18)10-17-19-6-8-24-17/h2-4,6,8,16H,5,7,9-13H2,1H3/t16-,18+/m1/s1
InChIKeyPOWDVGXWNJEYKN-AEFFLSMTSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419554
(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97474544
(3R,5S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155847228
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155842781
2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 125223389
(3S,5S)-3-pyridin-2-yloxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419752
(3R)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419078
3-[(6-methyl-2-pyridinyl)methoxy]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171688593
(3S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155852730
(3S,5S)-7-(furan-3-ylmethyl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477552
(3S,5R)-N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371091

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 97420018) is (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is Cc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)n1.
What is the InChIKey of (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is POWDVGXWNJEYKN-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-3-2-4-15(20-14)11-22-16-9-18(23-12-16)5-7-21(13-18)10-17-19-6-8-24-17/h2-4,6,8,16H,5,7,9-13H2,1H3/t16-,18+/m1/s1.
What are the key properties of (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 345.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97420018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).