8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H24N4O2S — CID 118747130

IUPAC8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCOCC3(C2)CN(Cc2nccs2)CCO3)ccn1
InChIInChI=1S/C18H24N4O2S/c1-3-19-4-2-16(1)11-21-6-8-23-15-18(13-21)14-22(7-9-24-18)12-17-20-5-10-25-17/h1-5,10H,6-9,11-15H2
InChIKeyGMKULKWDVJVRAR-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.64
Rot. Bonds4

About 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118747130) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118747130
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCOCC3(C2)CN(Cc2nccs2)CCO3)ccn1
InChIInChI=1S/C18H24N4O2S/c1-3-19-4-2-16(1)11-21-6-8-23-15-18(13-21)14-22(7-9-24-18)12-17-20-5-10-25-17/h1-5,10H,6-9,11-15H2
InChIKeyGMKULKWDVJVRAR-UHFFFAOYSA-N
XLogP1.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 162664148
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
CID 162676326
2-(1-Ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 71988814
4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97470931
11-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502638
(4aR,7aR)-4-(pyridin-4-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508864
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(pyridin-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97511442
N-methyl-N-(pyridin-2-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739717
4-(5-Methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118746296
8-Pyridin-3-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746653
N-methyl-N-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118747070
4-[(2-Pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine
CID 100654198

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118747130) is 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1cc(CN2CCOCC3(C2)CN(Cc2nccs2)CCO3)ccn1.
What is the InChIKey of 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is GMKULKWDVJVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-19-4-2-16(1)11-21-6-8-23-15-18(13-21)14-22(7-9-24-18)12-17-20-5-10-25-17/h1-5,10H,6-9,11-15H2.
What are the key properties of 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 360.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118747130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).