(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C16H20N4O2S — CID 124803192

IUPAC(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1csc(CN2CC3(C[C@H](Oc4ncccn4)CCO3)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-12-9-23-14(19-12)8-20-10-16(11-20)7-13(3-6-21-16)22-15-17-4-2-5-18-15/h2,4-5,9,13H,3,6-8,10-11H2,1H3/t13-/m1/s1
InChIKeyOZGMDLKEJNAOMU-CYBMUJFWSA-N
MW332.43 g/mol
LogP2.05
Rot. Bonds4

About (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124803192) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124803192
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1csc(CN2CC3(C[C@H](Oc4ncccn4)CCO3)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-12-9-23-14(19-12)8-20-10-16(11-20)7-13(3-6-21-16)22-15-17-4-2-5-18-15/h2,4-5,9,13H,3,6-8,10-11H2,1H3/t13-/m1/s1
InChIKeyOZGMDLKEJNAOMU-CYBMUJFWSA-N
XLogP2.05
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124803192) is (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1csc(CN2CC3(C[C@H](Oc4ncccn4)CCO3)C2)n1.
What is the InChIKey of (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is OZGMDLKEJNAOMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-9-23-14(19-12)8-20-10-16(11-20)7-13(3-6-21-16)22-15-17-4-2-5-18-15/h2,4-5,9,13H,3,6-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 332.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124803192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).