3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H14N4O3S — CID 95811403

IUPAC3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cscn3)CC2)C1=O
InChIInChI=1S/C12H14N4O3S/c1-15-10(18)12(14-11(15)19)2-4-16(5-3-12)9(17)8-6-20-7-13-8/h6-7H,2-5H2,1H3,(H,14,19)
InChIKeyKZBFAUAFOCKITK-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.30
Rot. Bonds1

About 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 95811403) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID95811403
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cscn3)CC2)C1=O
InChIInChI=1S/C12H14N4O3S/c1-15-10(18)12(14-11(15)19)2-4-16(5-3-12)9(17)8-6-20-7-13-8/h6-7H,2-5H2,1H3,(H,14,19)
InChIKeyKZBFAUAFOCKITK-UHFFFAOYSA-N
XLogP0.30
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653725
(3R)-3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391633
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95828779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 95811403) is 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(C(=O)c3cscn3)CC2)C1=O.
What is the InChIKey of 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KZBFAUAFOCKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-15-10(18)12(14-11(15)19)2-4-16(5-3-12)9(17)8-6-20-7-13-8/h6-7H,2-5H2,1H3,(H,14,19).
What are the key properties of 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 294.34 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 95811403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).