2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H23N5OS — CID 118740876

IUPAC2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C17H23N5OS/c1-14-9-19-15(20-10-14)21-5-2-3-17(11-21)12-22(6-7-23-13-17)16-18-4-8-24-16/h4,8-10H,2-3,5-7,11-13H2,1H3
InChIKeyDFDAUEFRVQTWCA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.36
Rot. Bonds2

About 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118740876) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118740876
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C17H23N5OS/c1-14-9-19-15(20-10-14)21-5-2-3-17(11-21)12-22(6-7-23-13-17)16-18-4-8-24-16/h4,8-10H,2-3,5-7,11-13H2,1H3
InChIKeyDFDAUEFRVQTWCA-UHFFFAOYSA-N
XLogP2.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118740876) is 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Cc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is DFDAUEFRVQTWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-9-19-15(20-10-14)21-5-2-3-17(11-21)12-22(6-7-23-13-17)16-18-4-8-24-16/h4,8-10H,2-3,5-7,11-13H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 345.47 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118740876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).