lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride

C7H8LiNO2S — CID 173111484

IUPAClithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride
SMILESO=C(O)c1nc(C2CC2)cs1.[H-].[Li+]
InChIInChI=1S/C7H7NO2S.Li.H/c9-7(10)6-8-5(3-11-6)4-1-2-4;;/h3-4H,1-2H2,(H,9,10);;/q;+1;-1
InChIKeyOBVRHORSWNZUDR-UHFFFAOYSA-N
MW177.15 g/mol
LogP-1.16
Rot. Bonds2

About lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride

lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride (PubChem CID 173111484) has the molecular formula C7H8LiNO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride
PubChem CID173111484
Molecular FormulaC7H8LiNO2S
Molecular Weight177.15 g/mol
Exact Mass177.04
IUPAC Namelithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride
SMILESO=C(O)c1nc(C2CC2)cs1.[H-].[Li+]
InChIInChI=1S/C7H7NO2S.Li.H/c9-7(10)6-8-5(3-11-6)4-1-2-4;;/h3-4H,1-2H2,(H,9,10);;/q;+1;-1
InChIKeyOBVRHORSWNZUDR-UHFFFAOYSA-N
XLogP-1.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride?
The IUPAC name of lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride (CID 173111484) is lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride.
What is the SMILES notation for lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride?
The canonical SMILES for lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride is O=C(O)c1nc(C2CC2)cs1.[H-].[Li+].
What is the InChIKey of lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride?
The InChIKey is OBVRHORSWNZUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S.Li.H/c9-7(10)6-8-5(3-11-6)4-1-2-4;;/h3-4H,1-2H2,(H,9,10);;/q;+1;-1.
What are the key properties of lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride?
lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride has a molecular weight of 177.15 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-cyclopropyl-1,3-thiazole-2-carboxylic acid;hydride is sourced from PubChem (CID 173111484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).