lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate

C7H9LiN2O2S — CID 23688409

IUPAClithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate
SMILESCN(C)Cc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyJKQJQLNIJDOKJN-UHFFFAOYSA-M
MW192.17 g/mol
LogP-3.43
Rot. Bonds3

About lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate

lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate (PubChem CID 23688409) has the molecular formula C7H9LiN2O2S and a molecular weight of 192.17 g/mol. Its IUPAC name is lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate
PubChem CID23688409
Molecular FormulaC7H9LiN2O2S
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namelithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate
SMILESCN(C)Cc1cnc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyJKQJQLNIJDOKJN-UHFFFAOYSA-M
XLogP-3.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate (CID 23688409) is lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate is CN(C)Cc1cnc(C(=O)[O-])s1.[Li+].
What is the InChIKey of lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate?
The InChIKey is JKQJQLNIJDOKJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate?
lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate has a molecular weight of 192.17 g/mol, XLogP of -3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[(dimethylamino)methyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 23688409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).