lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid

C4H5LiN2O2S — CID 175461334

IUPAClithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
SMILESCc1nnc(C(=O)O)s1.[H-].[Li+]
InChIInChI=1S/C4H4N2O2S.Li.H/c1-2-5-6-3(9-2)4(7)8;;/h1H3,(H,7,8);;/q;+1;-1
InChIKeyVUQUCEKUTSJWLN-UHFFFAOYSA-N
MW152.10 g/mol
LogP-2.34
Rot. Bonds1

About lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid

lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 175461334) has the molecular formula C4H5LiN2O2S and a molecular weight of 152.10 g/mol. Its IUPAC name is lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
PubChem CID175461334
Molecular FormulaC4H5LiN2O2S
Molecular Weight152.10 g/mol
Exact Mass152.02
IUPAC Namelithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
SMILESCc1nnc(C(=O)O)s1.[H-].[Li+]
InChIInChI=1S/C4H4N2O2S.Li.H/c1-2-5-6-3(9-2)4(7)8;;/h1H3,(H,7,8);;/q;+1;-1
InChIKeyVUQUCEKUTSJWLN-UHFFFAOYSA-N
XLogP-2.34
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid?
The IUPAC name of lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid (CID 175461334) is lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid.
What is the SMILES notation for lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid?
The canonical SMILES for lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid is Cc1nnc(C(=O)O)s1.[H-].[Li+].
What is the InChIKey of lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid?
The InChIKey is VUQUCEKUTSJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S.Li.H/c1-2-5-6-3(9-2)4(7)8;;/h1H3,(H,7,8);;/q;+1;-1.
What are the key properties of lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid?
lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 152.10 g/mol, XLogP of -2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 175461334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).