carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium

C20H23N2O3SY- — CID 161370265

IUPACcarbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium
SMILESC#CCN1c2ccncc2C(O)=C(c2ccccc2C)S1(=O)=O.CC.[CH3-].[Y]
InChIInChI=1S/C17H14N2O3S.C2H6.CH3.Y/c1-3-10-19-15-8-9-18-11-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2;1-2;;/h1,4-9,11,20H,10H2,2H3;1-2H3;1H3;/q;;-1;
InChIKeyOLCSDFNDSMGVPM-UHFFFAOYSA-N
MW460.39 g/mol
LogP4.03
Rot. Bonds2

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

carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium (PubChem CID 161370265) has the molecular formula C20H23N2O3SY- and a molecular weight of 460.39 g/mol. Its IUPAC name is carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium
PubChem CID161370265
Molecular FormulaC20H23N2O3SY-
Molecular Weight460.39 g/mol
Exact Mass460.05
IUPAC Namecarbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium
SMILESC#CCN1c2ccncc2C(O)=C(c2ccccc2C)S1(=O)=O.CC.[CH3-].[Y]
InChIInChI=1S/C17H14N2O3S.C2H6.CH3.Y/c1-3-10-19-15-8-9-18-11-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2;1-2;;/h1,4-9,11,20H,10H2,2H3;1-2H3;1H3;/q;;-1;
InChIKeyOLCSDFNDSMGVPM-UHFFFAOYSA-N
XLogP4.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylfuro[2,3-c]thiazin-4-ol;yttrium
CID 158365906
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
3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol
CID 66678276
carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium
CID 158137082
carbanide;ethane;1-ethyl-3-(2-methylphenyl)-2,2-dioxo-6-phenylthieno[3,2-c]thiazin-4-ol;yttrium
CID 159036934
6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol
CID 66600095
1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
CID 66600094
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one;yttrium
CID 159411297
3-(2-ethynylphenyl)-4-methylpyridine
CID 88961447
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
CID 160655599

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium?
The IUPAC name of carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium (CID 161370265) is carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium.
What is the SMILES notation for carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium?
The canonical SMILES for carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium is C#CCN1c2ccncc2C(O)=C(c2ccccc2C)S1(=O)=O.CC.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium?
The InChIKey is OLCSDFNDSMGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S.C2H6.CH3.Y/c1-3-10-19-15-8-9-18-11-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2;1-2;;/h1,4-9,11,20H,10H2,2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium?
carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium has a molecular weight of 460.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium is sourced from PubChem (CID 161370265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).