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

C17H23N5OS — CID 97399502

IUPAC3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCC3(CC2)COCCN(c2nccs2)C3)nn1
InChIInChI=1S/C17H23N5OS/c1-14-2-3-15(20-19-14)21-7-4-17(5-8-21)12-22(9-10-23-13-17)16-18-6-11-24-16/h2-3,6,11H,4-5,7-10,12-13H2,1H3
InChIKeyNIBGPNOBDPPPEO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.36
Rot. Bonds2

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

3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399502) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399502
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCC3(CC2)COCCN(c2nccs2)C3)nn1
InChIInChI=1S/C17H23N5OS/c1-14-2-3-15(20-19-14)21-7-4-17(5-8-21)12-22(9-10-23-13-17)16-18-6-11-24-16/h2-3,6,11H,4-5,7-10,12-13H2,1H3
InChIKeyNIBGPNOBDPPPEO-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

2-[[3-(6-Methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97370744
(4aR,7aS)-4-(6-methylpyridazin-3-yl)-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377495
11-Pyridin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739514
2-(Pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118740917
2-Pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118744203
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746212
2-(6-Methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746411
3-(6-Methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 118746171
2-(6-Methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 118746410
N,N-dimethyl-5-{[8-(6-methyl-3-pyridazinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}-1,3-thiazol-2-amine
CID 70753572
(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384996
(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384997

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399502) is 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is Cc1ccc(N2CCC3(CC2)COCCN(c2nccs2)C3)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is NIBGPNOBDPPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-14-2-3-15(20-19-14)21-7-4-17(5-8-21)12-22(9-10-23-13-17)16-18-6-11-24-16/h2-3,6,11H,4-5,7-10,12-13H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-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 3-(6-methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).