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

C6H6LiNO2S — CID 75480690

IUPAClithium 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C6H7NO2S.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYQYYNXRFIYIBML-UHFFFAOYSA-M
MW163.13 g/mol
LogP-2.93
Rot. Bonds2

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

lithium 5-ethyl-1,3-thiazole-2-carboxylate (PubChem CID 75480690) has the molecular formula C6H6LiNO2S and a molecular weight of 163.13 g/mol. Its IUPAC name is lithium 5-ethyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-ethyl-1,3-thiazole-2-carboxylate
PubChem CID75480690
Molecular FormulaC6H6LiNO2S
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Namelithium 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C6H7NO2S.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYQYYNXRFIYIBML-UHFFFAOYSA-M
XLogP-2.93
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,3-thiazole-2-carboxylic acid
CID 21877349
Ethyl 5-ethyl-1,3-thiazole-2-carboxylate
CID 20775037
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
Methyl 5-(bromomethyl)-1,3-thiazole-2-carboxylate
CID 91756886
Lithium 5-(difluoromethyl)-1,3-thiazole-2-carboxylate
CID 137935297
Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
Lithium 5-(trifluoromethyl)-1,3-thiazole-2-carboxylate
CID 132371517
Potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915093
Lithium(1+) 5-cyclopropyl-1,3-thiazole-2-carboxylate
CID 177800170
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
Dilithium 5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
CID 67315404
Potassium;5-(difluoromethyl)-1,3-thiazole-2-carboxylate
CID 132091550

Frequently Asked Questions

What is the IUPAC name of lithium 5-ethyl-1,3-thiazole-2-carboxylate?
The IUPAC name of lithium 5-ethyl-1,3-thiazole-2-carboxylate (CID 75480690) is lithium 5-ethyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for lithium 5-ethyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for lithium 5-ethyl-1,3-thiazole-2-carboxylate is CCc1cnc(C(=O)[O-])s1.[Li+].
What is the InChIKey of lithium 5-ethyl-1,3-thiazole-2-carboxylate?
The InChIKey is YQYYNXRFIYIBML-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO2S.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 5-ethyl-1,3-thiazole-2-carboxylate?
lithium 5-ethyl-1,3-thiazole-2-carboxylate has a molecular weight of 163.13 g/mol, XLogP of -2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-ethyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 75480690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).