dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate

C6H2F3Li2NO3S — CID 67315404

IUPACdilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(C([O-])C(F)(F)F)s1.[Li+].[Li+]
InChIInChI=1S/C6H3F3NO3S.2Li/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;/h1,3H,(H,12,13);;/q-1;2*+1/p-1
InChIKeyDZNXAVKYJXBZIH-UHFFFAOYSA-M
MW239.03 g/mol
LogP-6.52
Rot. Bonds2

About dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate

dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate (PubChem CID 67315404) has the molecular formula C6H2F3Li2NO3S and a molecular weight of 239.03 g/mol. Its IUPAC name is dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namedilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
PubChem CID67315404
Molecular FormulaC6H2F3Li2NO3S
Molecular Weight239.03 g/mol
Exact Mass239.00
IUPAC Namedilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(C([O-])C(F)(F)F)s1.[Li+].[Li+]
InChIInChI=1S/C6H3F3NO3S.2Li/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;/h1,3H,(H,12,13);;/q-1;2*+1/p-1
InChIKeyDZNXAVKYJXBZIH-UHFFFAOYSA-M
XLogP-6.52
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 5-6.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate (CID 67315404) is dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate is O=C([O-])c1ncc(C([O-])C(F)(F)F)s1.[Li+].[Li+].
What is the InChIKey of dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate?
The InChIKey is DZNXAVKYJXBZIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F3NO3S.2Li/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;/h1,3H,(H,12,13);;/q-1;2*+1/p-1.
What are the key properties of dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate?
dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate has a molecular weight of 239.03 g/mol, XLogP of -6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 67315404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).