[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C17H20N4O3S — CID 124893255

IUPAC[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)n1
InChIInChI=1S/C17H20N4O3S/c1-11-3-5-18-16(19-11)24-13-4-6-23-17(7-13)9-21(10-17)15(22)14-8-25-12(2)20-14/h3,5,8,13H,4,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyCRVMYHWFPDQKPD-ZDUSSCGKSA-N
MW360.44 g/mol
LogP2.00
Rot. Bonds3

About [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 124893255) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID124893255
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)n1
InChIInChI=1S/C17H20N4O3S/c1-11-3-5-18-16(19-11)24-13-4-6-23-17(7-13)9-21(10-17)15(22)14-8-25-12(2)20-14/h3,5,8,13H,4,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyCRVMYHWFPDQKPD-ZDUSSCGKSA-N
XLogP2.00
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893711
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 131655494
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893710
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884
(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124814156
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133137075
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 133142484
(2-methyl-1,3-thiazol-4-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124811768
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124893679
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893559
[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131641139
[(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124799221

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 124893255) is [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)n1.
What is the InChIKey of [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is CRVMYHWFPDQKPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-11-3-5-18-16(19-11)24-13-4-6-23-17(7-13)9-21(10-17)15(22)14-8-25-12(2)20-14/h3,5,8,13H,4,6-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124893255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).