carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium

C7H13NO4SY-2 — CID 59870089

IUPACcarbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium
SMILESCOC(=O)N1[CH-]SCC1C(O)O.[CH3-].[Y]
InChIInChI=1S/C6H10NO4S.CH3.Y/c1-11-6(10)7-3-12-2-4(7)5(8)9;;/h3-5,8-9H,2H2,1H3;1H3;/q2*-1;
InChIKeyDKNFBIFGVXQABO-UHFFFAOYSA-N
MW296.16 g/mol
LogP0.05
Rot. Bonds1

About carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium

carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium (PubChem CID 59870089) has the molecular formula C7H13NO4SY-2 and a molecular weight of 296.16 g/mol. Its IUPAC name is carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium
PubChem CID59870089
Molecular FormulaC7H13NO4SY-2
Molecular Weight296.16 g/mol
Exact Mass295.96
IUPAC Namecarbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium
SMILESCOC(=O)N1[CH-]SCC1C(O)O.[CH3-].[Y]
InChIInChI=1S/C6H10NO4S.CH3.Y/c1-11-6(10)7-3-12-2-4(7)5(8)9;;/h3-5,8-9H,2H2,1H3;1H3;/q2*-1;
InChIKeyDKNFBIFGVXQABO-UHFFFAOYSA-N
XLogP0.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-hydroxy-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 91131187
Methyl 4-(dihydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 21363461
4-(Hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763029
3-Ethyl-4-(hydroxymethyl)-1,3-thiazolidin-2-one
CID 84764416
4-(Hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one
CID 84767001

Frequently Asked Questions

What is the IUPAC name of carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium?
The IUPAC name of carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium (CID 59870089) is carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium.
What is the SMILES notation for carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium?
The canonical SMILES for carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium is COC(=O)N1[CH-]SCC1C(O)O.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium?
The InChIKey is DKNFBIFGVXQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4S.CH3.Y/c1-11-6(10)7-3-12-2-4(7)5(8)9;;/h3-5,8-9H,2H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium?
carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium has a molecular weight of 296.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 4-(dihydroxymethyl)-1,3-thiazolidin-2-ide-3-carboxylate;yttrium is sourced from PubChem (CID 59870089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).