[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol

C18H25N3O3S — CID 131897692

IUPAC[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOC3(CCN(Cc4nccs4)CC3)C2)o1
InChIInChI=1S/C18H25N3O3S/c22-13-16-2-1-15(24-16)11-21-8-9-23-18(14-21)3-6-20(7-4-18)12-17-19-5-10-25-17/h1-2,5,10,22H,3-4,6-9,11-14H2
InChIKeyBHSUQMCZOYKUAK-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.10
Rot. Bonds5

About [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol

[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol (PubChem CID 131897692) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol
PubChem CID131897692
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOC3(CCN(Cc4nccs4)CC3)C2)o1
InChIInChI=1S/C18H25N3O3S/c22-13-16-2-1-15(24-16)11-21-8-9-23-18(14-21)3-6-20(7-4-18)12-17-19-5-10-25-17/h1-2,5,10,22H,3-4,6-9,11-14H2
InChIKeyBHSUQMCZOYKUAK-UHFFFAOYSA-N
XLogP2.10
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155853847
pyrrolidin-1-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450814
9-(pyridin-2-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696570
9-pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155860242
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one
CID 131683845
9-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155823971
furan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824954
(3-fluoro-4-pyridinyl)-[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131897861
9-[(5-methylfuran-2-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372242
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668

Frequently Asked Questions

What is the IUPAC name of [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol (CID 131897692) is [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCOC3(CCN(Cc4nccs4)CC3)C2)o1.
What is the InChIKey of [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol?
The InChIKey is BHSUQMCZOYKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-13-16-2-1-15(24-16)11-21-8-9-23-18(14-21)3-6-20(7-4-18)12-17-19-5-10-25-17/h1-2,5,10,22H,3-4,6-9,11-14H2.
What are the key properties of [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol?
[5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol has a molecular weight of 363.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 131897692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).