propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium

C8H9N3SY-2 — CID 58546914

IUPACpropane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium
SMILESC[CH-]C.[Y].[c-]1nc2cncnc2s1
InChIInChI=1S/C5H2N3S.C3H7.Y/c1-4-5(7-2-6-1)9-3-8-4;1-3-2;/h1-2H;3H,1-2H3;/q2*-1;
InChIKeySTTBZCGPNOKTSC-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.11
Rot. Bonds

About propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium

propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium (PubChem CID 58546914) has the molecular formula C8H9N3SY-2 and a molecular weight of 268.15 g/mol. Its IUPAC name is propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium.

Molecular Properties

Compound Namepropane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium
PubChem CID58546914
Molecular FormulaC8H9N3SY-2
Molecular Weight268.15 g/mol
Exact Mass267.96
IUPAC Namepropane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium
SMILESC[CH-]C.[Y].[c-]1nc2cncnc2s1
InChIInChI=1S/C5H2N3S.C3H7.Y/c1-4-5(7-2-6-1)9-3-8-4;1-3-2;/h1-2H;3H,1-2H3;/q2*-1;
InChIKeySTTBZCGPNOKTSC-UHFFFAOYSA-N
XLogP2.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium?
The IUPAC name of propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium (CID 58546914) is propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium.
What is the SMILES notation for propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium?
The canonical SMILES for propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium is C[CH-]C.[Y].[c-]1nc2cncnc2s1.
What is the InChIKey of propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium?
The InChIKey is STTBZCGPNOKTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N3S.C3H7.Y/c1-4-5(7-2-6-1)9-3-8-4;1-3-2;/h1-2H;3H,1-2H3;/q2*-1;.
What are the key properties of propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium?
propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium has a molecular weight of 268.15 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium is sourced from PubChem (CID 58546914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).