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

C16H20N4O2S — CID 131661620

IUPAC8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nc(COC2CCOC3(C2)CN(c2ncccn2)C3)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-13(9-23-12)8-21-14-3-6-22-16(7-14)10-20(11-16)15-17-4-2-5-18-15/h2,4-5,9,14H,3,6-8,10-11H2,1H3
InChIKeyFYNIZPTUYPUPGJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.20
Rot. Bonds4

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

8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131661620) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131661620
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nc(COC2CCOC3(C2)CN(c2ncccn2)C3)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-13(9-23-12)8-21-14-3-6-22-16(7-14)10-20(11-16)15-17-4-2-5-18-15/h2,4-5,9,14H,3,6-8,10-11H2,1H3
InChIKeyFYNIZPTUYPUPGJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 131661620) is 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is Cc1nc(COC2CCOC3(C2)CN(c2ncccn2)C3)cs1.
What is the InChIKey of 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FYNIZPTUYPUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-19-13(9-23-12)8-21-14-3-6-22-16(7-14)10-20(11-16)15-17-4-2-5-18-15/h2,4-5,9,14H,3,6-8,10-11H2,1H3.
What are the key properties of 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 332.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131661620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).