lithium 1,3-thiazole-5-carboxylate

C4H2LiNO2S — CID 67211399

IUPAClithium 1,3-thiazole-5-carboxylate
SMILESO=C([O-])c1cncs1.[Li+]
InChIInChI=1S/C4H3NO2S.Li/c6-4(7)3-1-5-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyFTALESKTZDHVLZ-UHFFFAOYSA-M
MW135.07 g/mol
LogP-3.49
Rot. Bonds1

About lithium 1,3-thiazole-5-carboxylate

lithium 1,3-thiazole-5-carboxylate (PubChem CID 67211399) has the molecular formula C4H2LiNO2S and a molecular weight of 135.07 g/mol. Its IUPAC name is lithium 1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namelithium 1,3-thiazole-5-carboxylate
PubChem CID67211399
Molecular FormulaC4H2LiNO2S
Molecular Weight135.07 g/mol
Exact Mass135.00
IUPAC Namelithium 1,3-thiazole-5-carboxylate
SMILESO=C([O-])c1cncs1.[Li+]
InChIInChI=1S/C4H3NO2S.Li/c6-4(7)3-1-5-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyFTALESKTZDHVLZ-UHFFFAOYSA-M
XLogP-3.49
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 5-3.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
methanesulfonic acid;1,3-thiazole-5-carboxamide
CID 174614259
4-methyl-1-(1,3-thiazol-5-yl)pent-4-en-1-one
CID 114473677
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
carbamoyl 1,3-thiazole-5-carboxylate
CID 175264955
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233

Frequently Asked Questions

What is the IUPAC name of lithium 1,3-thiazole-5-carboxylate?
The IUPAC name of lithium 1,3-thiazole-5-carboxylate (CID 67211399) is lithium 1,3-thiazole-5-carboxylate.
What is the SMILES notation for lithium 1,3-thiazole-5-carboxylate?
The canonical SMILES for lithium 1,3-thiazole-5-carboxylate is O=C([O-])c1cncs1.[Li+].
What is the InChIKey of lithium 1,3-thiazole-5-carboxylate?
The InChIKey is FTALESKTZDHVLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2S.Li/c6-4(7)3-1-5-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 1,3-thiazole-5-carboxylate?
lithium 1,3-thiazole-5-carboxylate has a molecular weight of 135.07 g/mol, XLogP of -3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67211399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).