2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

C20H25N3O2S — CID 97482790

IUPAC2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)n1
InChIInChI=1S/C20H25N3O2S/c1-4-20(13-22(7-1)12-19-21-6-9-26-19)5-8-23(14-20)11-16-2-3-17-18(10-16)25-15-24-17/h2-3,6,9-10H,1,4-5,7-8,11-15H2/t20-/m0/s1
InChIKeyGRAWCLSPSHWNJL-FQEVSTJZSA-N
MW371.51 g/mol
LogP3.36
Rot. Bonds4

About 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (PubChem CID 97482790) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
PubChem CID97482790
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)n1
InChIInChI=1S/C20H25N3O2S/c1-4-20(13-22(7-1)12-19-21-6-9-26-19)5-8-23(14-20)11-16-2-3-17-18(10-16)25-15-24-17/h2-3,6,9-10H,1,4-5,7-8,11-15H2/t20-/m0/s1
InChIKeyGRAWCLSPSHWNJL-FQEVSTJZSA-N
XLogP3.36
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
7-(1,3-benzodioxol-5-ylmethyl)-2-oxa-7-azaspiro[3.4]octane
CID 46889877
2-(1,3-benzodioxol-5-yl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155853023
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482837
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
3-(1,3-benzodioxol-5-yl)-1-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42191894

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (CID 97482790) is 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is c1csc(CN2CCC[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)n1.
What is the InChIKey of 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The InChIKey is GRAWCLSPSHWNJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-20(13-22(7-1)12-19-21-6-9-26-19)5-8-23(14-20)11-16-2-3-17-18(10-16)25-15-24-17/h2-3,6,9-10H,1,4-5,7-8,11-15H2/t20-/m0/s1.
What are the key properties of 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole has a molecular weight of 371.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97482790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).