carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium

C17H21F2N2O3S2Y- — CID 158137082

IUPACcarbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium
SMILESCC.Cc1ccccc1C1=C(O)c2ncsc2N(CC(F)F)S1(=O)=O.[CH3-].[Y]
InChIInChI=1S/C14H12F2N2O3S2.C2H6.CH3.Y/c1-8-4-2-3-5-9(8)13-12(19)11-14(22-7-17-11)18(6-10(15)16)23(13,20)21;1-2;;/h2-5,7,10,19H,6H2,1H3;1-2H3;1H3;/q;;-1;
InChIKeyZJZBTAFSMBAEDY-UHFFFAOYSA-N
MW492.40 g/mol
LogP4.72
Rot. Bonds3

About carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium

carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium (PubChem CID 158137082) has the molecular formula C17H21F2N2O3S2Y- and a molecular weight of 492.40 g/mol. Its IUPAC name is carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium
PubChem CID158137082
Molecular FormulaC17H21F2N2O3S2Y-
Molecular Weight492.40 g/mol
Exact Mass492.00
IUPAC Namecarbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium
SMILESCC.Cc1ccccc1C1=C(O)c2ncsc2N(CC(F)F)S1(=O)=O.[CH3-].[Y]
InChIInChI=1S/C14H12F2N2O3S2.C2H6.CH3.Y/c1-8-4-2-3-5-9(8)13-12(19)11-14(22-7-17-11)18(6-10(15)16)23(13,20)21;1-2;;/h2-5,7,10,19H,6H2,1H3;1-2H3;1H3;/q;;-1;
InChIKeyZJZBTAFSMBAEDY-UHFFFAOYSA-N
XLogP4.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;6-(2-methylphenyl)-5,5-dioxo-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-c]thiazin-7-ol;yttrium
CID 159338038
3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynyl-[1,3]thiazolo[4,5-c]thiazin-4-ol
CID 87068076
carbanide;ethane;1-ethyl-3-(2-methylphenyl)-2,2-dioxo-6-phenylthieno[3,2-c]thiazin-4-ol;yttrium
CID 159036934
carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium
CID 161370265
carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylfuro[2,3-c]thiazin-4-ol;yttrium
CID 158365906
1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
CID 66600094
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol
CID 66600095
3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol
CID 66678276
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
4-(2-fluorophenyl)-5-methyl-1,3-thiazole
CID 67275565
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium?
The IUPAC name of carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium (CID 158137082) is carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium.
What is the SMILES notation for carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium?
The canonical SMILES for carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium is CC.Cc1ccccc1C1=C(O)c2ncsc2N(CC(F)F)S1(=O)=O.[CH3-].[Y].
What is the InChIKey of carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium?
The InChIKey is ZJZBTAFSMBAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S2.C2H6.CH3.Y/c1-8-4-2-3-5-9(8)13-12(19)11-14(22-7-17-11)18(6-10(15)16)23(13,20)21;1-2;;/h2-5,7,10,19H,6H2,1H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium?
carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium has a molecular weight of 492.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium is sourced from PubChem (CID 158137082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).