3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H24N4O2S — CID 26138019

IUPAC3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1nccs1)CC2
InChIInChI=1S/C16H24N4O2S/c1-12(2)10-20-15(22)18(3)14(21)16(20)4-7-19(8-5-16)11-13-17-6-9-23-13/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeyIDJKXOQZIVIATK-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds4

About 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26138019) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26138019
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1nccs1)CC2
InChIInChI=1S/C16H24N4O2S/c1-12(2)10-20-15(22)18(3)14(21)16(20)4-7-19(8-5-16)11-13-17-6-9-23-13/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeyIDJKXOQZIVIATK-UHFFFAOYSA-N
XLogP2.03
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370133
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370161
N,N-dimethyl-2-[1-oxo-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370241
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393149
4-[2-(Dimethylamino)ethyl]-1-methyl-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398693
4-(Cyclopropylmethyl)-1-methyl-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398725
1-Methyl-4-(2-methylpropyl)-9-(1,3-thiazol-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495702
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
(5S)-1,5-dimethyl-3-[2-(1,3-thiazol-2-yl)propyl]imidazolidine-2,4-dione
CID 137956365
N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 167992873
4-Ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26138019) is 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1nccs1)CC2.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IDJKXOQZIVIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(2)10-20-15(22)18(3)14(21)16(20)4-7-19(8-5-16)11-13-17-6-9-23-13/h6,9,12H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26138019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).