11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H20FN5OS — CID 118745238

IUPAC11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccnc1N1CCOCC2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C16H20FN5OS/c17-13-3-1-5-18-14(13)21-7-8-23-11-16(9-21)4-2-6-22(10-16)15-20-19-12-24-15/h1,3,5,12H,2,4,6-11H2
InChIKeyOFMTYLCLMZUONL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.20
Rot. Bonds2

About 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118745238) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118745238
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccnc1N1CCOCC2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C16H20FN5OS/c17-13-3-1-5-18-14(13)21-7-8-23-11-16(9-21)4-2-6-22(10-16)15-20-19-12-24-15/h1,3,5,12H,2,4,6-11H2
InChIKeyOFMTYLCLMZUONL-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 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118745238) is 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cccnc1N1CCOCC2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is OFMTYLCLMZUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c17-13-3-1-5-18-14(13)21-7-8-23-11-16(9-21)4-2-6-22(10-16)15-20-19-12-24-15/h1,3,5,12H,2,4,6-11H2.
What are the key properties of 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-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 11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118745238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).