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

C16H20FN5OS — CID 118746866

IUPAC2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H20FN5OS/c17-13-8-19-14(20-9-13)21-4-1-2-16(10-21)11-22(5-6-23-12-16)15-18-3-7-24-15/h3,7-9H,1-2,4-6,10-12H2
InChIKeySYIWBSJBZWPVPM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.20
Rot. Bonds2

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

2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118746866) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118746866
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H20FN5OS/c17-13-8-19-14(20-9-13)21-4-1-2-16(10-21)11-22(5-6-23-12-16)15-18-3-7-24-15/h3,7-9H,1-2,4-6,10-12H2
InChIKeySYIWBSJBZWPVPM-UHFFFAOYSA-N
XLogP2.20
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118746866) is 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cnc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is SYIWBSJBZWPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c17-13-8-19-14(20-9-13)21-4-1-2-16(10-21)11-22(5-6-23-12-16)15-18-3-7-24-15/h3,7-9H,1-2,4-6,10-12H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 349.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).