2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H23N5OS — CID 118746411

IUPAC2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C17H23N5OS/c1-14-3-4-15(20-19-14)21-7-2-5-17(11-21)12-22(8-9-23-13-17)16-18-6-10-24-16/h3-4,6,10H,2,5,7-9,11-13H2,1H3
InChIKeyHOYZPKQGDKWSDU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.36
Rot. Bonds2

About 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118746411) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118746411
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C17H23N5OS/c1-14-3-4-15(20-19-14)21-7-2-5-17(11-21)12-22(8-9-23-13-17)16-18-6-10-24-16/h3-4,6,10H,2,5,7-9,11-13H2,1H3
InChIKeyHOYZPKQGDKWSDU-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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Related Compounds

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CID 118746171
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CID 118746410
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CID 97494724
CID 97494725
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CID 97394613

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118746411) is 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Cc1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is HOYZPKQGDKWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-3-4-15(20-19-14)21-7-2-5-17(11-21)12-22(8-9-23-13-17)16-18-6-10-24-16/h3-4,6,10H,2,5,7-9,11-13H2,1H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(6-methylpyridazin-3-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-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).