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

C4HBrLiNO2S — CID 119031473

IUPAClithium 5-bromo-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Br)s1.[Li+]
InChIInChI=1S/C4H2BrNO2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyLIQDYRFHYWBABX-UHFFFAOYSA-M
MW213.97 g/mol
LogP-2.73
Rot. Bonds1

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

lithium 5-bromo-1,3-thiazole-2-carboxylate (PubChem CID 119031473) has the molecular formula C4HBrLiNO2S and a molecular weight of 213.97 g/mol. Its IUPAC name is lithium 5-bromo-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-bromo-1,3-thiazole-2-carboxylate
PubChem CID119031473
Molecular FormulaC4HBrLiNO2S
Molecular Weight213.97 g/mol
Exact Mass212.91
IUPAC Namelithium 5-bromo-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Br)s1.[Li+]
InChIInChI=1S/C4H2BrNO2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyLIQDYRFHYWBABX-UHFFFAOYSA-M
XLogP-2.73
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.97
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-bromo-1,3-thiazole-2-carboxylate?
The IUPAC name of lithium 5-bromo-1,3-thiazole-2-carboxylate (CID 119031473) is lithium 5-bromo-1,3-thiazole-2-carboxylate.
What is the SMILES notation for lithium 5-bromo-1,3-thiazole-2-carboxylate?
The canonical SMILES for lithium 5-bromo-1,3-thiazole-2-carboxylate is O=C([O-])c1ncc(Br)s1.[Li+].
What is the InChIKey of lithium 5-bromo-1,3-thiazole-2-carboxylate?
The InChIKey is LIQDYRFHYWBABX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2BrNO2S.Li/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-bromo-1,3-thiazole-2-carboxylate?
lithium 5-bromo-1,3-thiazole-2-carboxylate has a molecular weight of 213.97 g/mol, XLogP of -2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-bromo-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 119031473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).