carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium

C21H29N2O2SY- — CID 159252129

IUPACcarbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
SMILESCC.CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC.[CH3-].[Y]
InChIInChI=1S/C18H20N2O2S.C2H6.CH3.Y/c1-4-8-13-19-17-16(23-13)15(21)14(18(22)20(17)5-2)12-10-7-6-9-11(12)3;1-2;;/h6-7,9-10,21H,4-5,8H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyXQROFKOJCNUSJJ-UHFFFAOYSA-N
MW462.45 g/mol
LogP5.59
Rot. Bonds4

About carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium

carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium (PubChem CID 159252129) has the molecular formula C21H29N2O2SY- and a molecular weight of 462.45 g/mol. Its IUPAC name is carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
PubChem CID159252129
Molecular FormulaC21H29N2O2SY-
Molecular Weight462.45 g/mol
Exact Mass462.10
IUPAC Namecarbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
SMILESCC.CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC.[CH3-].[Y]
InChIInChI=1S/C18H20N2O2S.C2H6.CH3.Y/c1-4-8-13-19-17-16(23-13)15(21)14(18(22)20(17)5-2)12-10-7-6-9-11(12)3;1-2;;/h6-7,9-10,21H,4-5,8H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyXQROFKOJCNUSJJ-UHFFFAOYSA-N
XLogP5.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 55.59
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

2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 87067874
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
CID 160655599
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
CID 66600089
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one;yttrium
CID 159411297
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium?
The IUPAC name of carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium (CID 159252129) is carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium.
What is the SMILES notation for carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium?
The canonical SMILES for carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium is CC.CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium?
The InChIKey is XQROFKOJCNUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S.C2H6.CH3.Y/c1-4-8-13-19-17-16(23-13)15(21)14(18(22)20(17)5-2)12-10-7-6-9-11(12)3;1-2;;/h6-7,9-10,21H,4-5,8H2,1-3H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium?
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium has a molecular weight of 462.45 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium is sourced from PubChem (CID 159252129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).