(6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H20FN5OS — CID 97494725

IUPAC(6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccnc1N1CCOC[C@@]2(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/t16-/m0/s1
InChIKeyOFMTYLCLMZUONL-INIZCTEOSA-N
MW349.44 g/mol
LogP2.20
Rot. Bonds2

About (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494725) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494725
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name(6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccnc1N1CCOC[C@@]2(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/t16-/m0/s1
InChIKeyOFMTYLCLMZUONL-INIZCTEOSA-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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Related Compounds

CID 118739184
CID 118739184
CID 118739514
CID 118739514
CID 118740917
CID 118740917
CID 118743639
CID 118743639
CID 118744203
CID 118744203
CID 118744301
CID 118744301
CID 118745238
CID 118745238
CID 118745496
CID 118745496
CID 118746411
CID 118746411
CID 118744300
CID 118744300
CID 118745237
CID 118745237
CID 118745495
CID 118745495

Frequently Asked Questions

What is the IUPAC name of (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494725) is (6S)-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 (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cccnc1N1CCOC[C@@]2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is OFMTYLCLMZUONL-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (6S)-11-(3-fluoro-2-pyridinyl)-2-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6S)-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 (6S)-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 97494725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).