2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

C18H29N3OS — CID 97370018

IUPAC2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CCOCC2)C3)n1
InChIInChI=1S/C18H29N3OS/c1-10-22-11-2-16(1)13-21-9-5-18(15-21)3-7-20(8-4-18)14-17-19-6-12-23-17/h6,12,16H,1-5,7-11,13-15H2
InChIKeyVJJPHSQDIYPYNB-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.86
Rot. Bonds4

About 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97370018) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97370018
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CCOCC2)C3)n1
InChIInChI=1S/C18H29N3OS/c1-10-22-11-2-16(1)13-21-9-5-18(15-21)3-7-20(8-4-18)14-17-19-6-12-23-17/h6,12,16H,1-5,7-11,13-15H2
InChIKeyVJJPHSQDIYPYNB-UHFFFAOYSA-N
XLogP2.86
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 95042861
Oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97370622
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025
5-(Methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744431
5-(Cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744437
2-(Oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746964
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118745764
2-[[2-(Cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370017
2-[1-(Oxan-4-yl)piperidin-4-yl]-1,3-thiazole
CID 176173740
[1-[1-(1,3-Thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
CID 45195015
1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62386716

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97370018) is 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is c1csc(CN2CCC3(CC2)CCN(CC2CCOCC2)C3)n1.
What is the InChIKey of 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is VJJPHSQDIYPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-10-22-11-2-16(1)13-21-9-5-18(15-21)3-7-20(8-4-18)14-17-19-6-12-23-17/h6,12,16H,1-5,7-11,13-15H2.
What are the key properties of 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 335.52 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).