2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium

C7H12N2OSY-2 — CID 58101895

IUPAC2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium
SMILES[CH2-]C.[CH2-]CC1SC(N)=NC1=O.[Y]
InChIInChI=1S/C5H7N2OS.C2H5.Y/c1-2-3-4(8)7-5(6)9-3;1-2;/h3H,1-2H2,(H2,6,7,8);1H2,2H3;/q2*-1;
InChIKeyYRLUNXIBAZQXLY-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium

2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium (PubChem CID 58101895) has the molecular formula C7H12N2OSY-2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium.

Molecular Properties

Compound Name2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium
PubChem CID58101895
Molecular FormulaC7H12N2OSY-2
Molecular Weight261.16 g/mol
Exact Mass260.97
IUPAC Name2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium
SMILES[CH2-]C.[CH2-]CC1SC(N)=NC1=O.[Y]
InChIInChI=1S/C5H7N2OS.C2H5.Y/c1-2-3-4(8)7-5(6)9-3;1-2;/h3H,1-2H2,(H2,6,7,8);1H2,2H3;/q2*-1;
InChIKeyYRLUNXIBAZQXLY-UHFFFAOYSA-N
XLogP1.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium?
The IUPAC name of 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium (CID 58101895) is 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium.
What is the SMILES notation for 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium?
The canonical SMILES for 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium is [CH2-]C.[CH2-]CC1SC(N)=NC1=O.[Y].
What is the InChIKey of 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium?
The InChIKey is YRLUNXIBAZQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2OS.C2H5.Y/c1-2-3-4(8)7-5(6)9-3;1-2;/h3H,1-2H2,(H2,6,7,8);1H2,2H3;/q2*-1;.
What are the key properties of 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium?
2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium has a molecular weight of 261.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium is sourced from PubChem (CID 58101895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).