1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H29N5O2S — CID 26233358

IUPAC1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1
InChIInChI=1S/C26H29N5O2S/c32-24-26(10-15-29(16-11-26)20-23-28-13-17-34-23)31(19-22-6-2-1-3-7-22)25(33)30(24)14-5-9-21-8-4-12-27-18-21/h1-4,6-8,12-13,17-18H,5,9-11,14-16,19-20H2
InChIKeyOHNMUAFRUVOLPL-UHFFFAOYSA-N
MW475.62 g/mol
LogP3.97
Rot. Bonds8

About 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26233358) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26233358
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1
InChIInChI=1S/C26H29N5O2S/c32-24-26(10-15-29(16-11-26)20-23-28-13-17-34-23)31(19-22-6-2-1-3-7-22)25(33)30(24)14-5-9-21-8-4-12-27-18-21/h1-4,6-8,12-13,17-18H,5,9-11,14-16,19-20H2
InChIKeyOHNMUAFRUVOLPL-UHFFFAOYSA-N
XLogP3.97
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-8-cyclopentyl-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143131
8-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137235
1-ethyl-8-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214490
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219741
8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234905
N-[4-[[1-(2-methoxyethyl)-2,4-dioxo-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]acetamide
CID 26135081
8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225610
8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140834
1-methyl-3-(2-phenylethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147707
8-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143799
1-ethyl-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143532
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215055

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26233358) is 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OHNMUAFRUVOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c32-24-26(10-15-29(16-11-26)20-23-28-13-17-34-23)31(19-22-6-2-1-3-7-22)25(33)30(24)14-5-9-21-8-4-12-27-18-21/h1-4,6-8,12-13,17-18H,5,9-11,14-16,19-20H2.
What are the key properties of 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 475.62 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26233358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).