1,3-thiazol-2-ylmethanone;yttrium

C4H2NOSY- — CID 58297572

IUPAC1,3-thiazol-2-ylmethanone;yttrium
SMILESO=[C-]c1nccs1.[Y]
InChIInChI=1S/C4H2NOS.Y/c6-3-4-5-1-2-7-4;/h1-2H;/q-1;
InChIKeyVJINHWAMYORMDJ-UHFFFAOYSA-N
MW201.04 g/mol
LogP0.60
Rot. Bonds1

About 1,3-thiazol-2-ylmethanone;yttrium

1,3-thiazol-2-ylmethanone;yttrium (PubChem CID 58297572) has the molecular formula C4H2NOSY- and a molecular weight of 201.04 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethanone;yttrium.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethanone;yttrium
PubChem CID58297572
Molecular FormulaC4H2NOSY-
Molecular Weight201.04 g/mol
Exact Mass200.89
IUPAC Name1,3-thiazol-2-ylmethanone;yttrium
SMILESO=[C-]c1nccs1.[Y]
InChIInChI=1S/C4H2NOS.Y/c6-3-4-5-1-2-7-4;/h1-2H;/q-1;
InChIKeyVJINHWAMYORMDJ-UHFFFAOYSA-N
XLogP0.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.04
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylthiazole
CID 520108
2-Methylthiazole
CID 77129
2-Propionylthiazole
CID 65288
1,3-Thiazole-2-carbaldehyde
CID 2734903
1,3-Thiazole-2-carboxamide
CID 17750911
1,3-Thiazole-2-carboxylic acid
CID 2762733
1,3-Thiazole-2-carbonyl chloride
CID 2795211
Thiazolecarboxylic acid azide
CID 18771936
1-(1,3-Thiazol-2-yl)prop-2-yn-1-one
CID 45121799
Bithiazolyl-4-one
CID 66974641
2-(Trifluoroacetyl)thiazole
CID 22106684
Fluoro 1,3-thiazole-2-carboxylate
CID 67880229

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethanone;yttrium?
The IUPAC name of 1,3-thiazol-2-ylmethanone;yttrium (CID 58297572) is 1,3-thiazol-2-ylmethanone;yttrium.
What is the SMILES notation for 1,3-thiazol-2-ylmethanone;yttrium?
The canonical SMILES for 1,3-thiazol-2-ylmethanone;yttrium is O=[C-]c1nccs1.[Y].
What is the InChIKey of 1,3-thiazol-2-ylmethanone;yttrium?
The InChIKey is VJINHWAMYORMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2NOS.Y/c6-3-4-5-1-2-7-4;/h1-2H;/q-1;.
What are the key properties of 1,3-thiazol-2-ylmethanone;yttrium?
1,3-thiazol-2-ylmethanone;yttrium has a molecular weight of 201.04 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethanone;yttrium is sourced from PubChem (CID 58297572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).