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

C17H23N3S2 — CID 97370008

IUPAC2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(Cc2ccsc2)C3)n1
InChIInChI=1S/C17H23N3S2/c1-9-21-13-15(1)11-20-8-4-17(14-20)2-6-19(7-3-17)12-16-18-5-10-22-16/h1,5,9-10,13H,2-4,6-8,11-12,14H2
InChIKeyMJIVACIKXCRIPB-UHFFFAOYSA-N
MW333.53 g/mol
LogP3.69
Rot. Bonds4

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

2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97370008) has the molecular formula C17H23N3S2 and a molecular weight of 333.53 g/mol. Its IUPAC name is 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97370008
Molecular FormulaC17H23N3S2
Molecular Weight333.53 g/mol
Exact Mass333.13
IUPAC Name2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(Cc2ccsc2)C3)n1
InChIInChI=1S/C17H23N3S2/c1-9-21-13-15(1)11-20-8-4-17(14-20)2-6-19(7-3-17)12-16-18-5-10-22-16/h1,5,9-10,13H,2-4,6-8,11-12,14H2
InChIKeyMJIVACIKXCRIPB-UHFFFAOYSA-N
XLogP3.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155846253
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2-oxazole
CID 97385375
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482790
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131684482

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97370008) is 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is c1csc(CN2CCC3(CC2)CCN(Cc2ccsc2)C3)n1.
What is the InChIKey of 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is MJIVACIKXCRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S2/c1-9-21-13-15(1)11-20-8-4-17(14-20)2-6-19(7-3-17)12-16-18-5-10-22-16/h1,5,9-10,13H,2-4,6-8,11-12,14H2.
What are the key properties of 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 333.53 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).