1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium

C8H9NO3SWY-2 — CID 147571637

IUPAC1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium
SMILESCC(=O)C1CSC(C)([C-]=O)N1[C-]=O.[W].[Y]
InChIInChI=1S/C8H9NO3S.W.Y/c1-6(12)7-3-13-8(2,4-10)9(7)5-11;;/h7H,3H2,1-2H3;;/q-2;;
InChIKeyYUYHWFHGUFZDED-UHFFFAOYSA-N
MW471.98 g/mol
LogP-0.12
Rot. Bonds3

About 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium

1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium (PubChem CID 147571637) has the molecular formula C8H9NO3SWY-2 and a molecular weight of 471.98 g/mol. Its IUPAC name is 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium.

Molecular Properties

Compound Name1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium
PubChem CID147571637
Molecular FormulaC8H9NO3SWY-2
Molecular Weight471.98 g/mol
Exact Mass471.89
IUPAC Name1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium
SMILESCC(=O)C1CSC(C)([C-]=O)N1[C-]=O.[W].[Y]
InChIInChI=1S/C8H9NO3S.W.Y/c1-6(12)7-3-13-8(2,4-10)9(7)5-11;;/h7H,3H2,1-2H3;;/q-2;;
InChIKeyYUYHWFHGUFZDED-UHFFFAOYSA-N
XLogP-0.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.98
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone
CID 18738813
2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
CID 159636557
2,3-diacetyl-2-methyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
CID 161175138
1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane
CID 145087578
molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide
CID 101498142
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
CID 143643613
(4R)-3-(3-acetylsulfanylpropanoyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 12890003
(4R)-2,2-dimethyl-3-(2-oxooctanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 11507718
N-methoxy-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 60716851
methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 143439103

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium?
The IUPAC name of 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium (CID 147571637) is 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium.
What is the SMILES notation for 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium?
The canonical SMILES for 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium is CC(=O)C1CSC(C)([C-]=O)N1[C-]=O.[W].[Y].
What is the InChIKey of 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium?
The InChIKey is YUYHWFHGUFZDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.W.Y/c1-6(12)7-3-13-8(2,4-10)9(7)5-11;;/h7H,3H2,1-2H3;;/q-2;;.
What are the key properties of 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium?
1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium has a molecular weight of 471.98 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium is sourced from PubChem (CID 147571637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).