lithium 5-amino-1,3-thiazole-2-carboxylate

C4H3LiN2O2S — CID 155822131

IUPAClithium 5-amino-1,3-thiazole-2-carboxylate
SMILESNc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C4H4N2O2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,5H2,(H,7,8);/q;+1/p-1
InChIKeyIHWJUACOQJTPAO-UHFFFAOYSA-M
MW150.09 g/mol
LogP-3.91
Rot. Bonds1

About lithium 5-amino-1,3-thiazole-2-carboxylate

lithium 5-amino-1,3-thiazole-2-carboxylate (PubChem CID 155822131) has the molecular formula C4H3LiN2O2S and a molecular weight of 150.09 g/mol. Its IUPAC name is lithium 5-amino-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-amino-1,3-thiazole-2-carboxylate
PubChem CID155822131
Molecular FormulaC4H3LiN2O2S
Molecular Weight150.09 g/mol
Exact Mass150.01
IUPAC Namelithium 5-amino-1,3-thiazole-2-carboxylate
SMILESNc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C4H4N2O2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,5H2,(H,7,8);/q;+1/p-1
InChIKeyIHWJUACOQJTPAO-UHFFFAOYSA-M
XLogP-3.91
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-3.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-amino-1,3-thiazole-2-carboxylate?
The IUPAC name of lithium 5-amino-1,3-thiazole-2-carboxylate (CID 155822131) is lithium 5-amino-1,3-thiazole-2-carboxylate.
What is the SMILES notation for lithium 5-amino-1,3-thiazole-2-carboxylate?
The canonical SMILES for lithium 5-amino-1,3-thiazole-2-carboxylate is Nc1cnc(C(=O)[O-])s1.[Li+].
What is the InChIKey of lithium 5-amino-1,3-thiazole-2-carboxylate?
The InChIKey is IHWJUACOQJTPAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,5H2,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-amino-1,3-thiazole-2-carboxylate?
lithium 5-amino-1,3-thiazole-2-carboxylate has a molecular weight of 150.09 g/mol, XLogP of -3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-amino-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 155822131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).