dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid

C6H6F3Li2NO3S — CID 173062807

IUPACdilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(O)C(F)(F)F)s1.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C6H4F3NO3S.2Li.2H/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;;;/h1,3,11H,(H,12,13);;;;/q;2*+1;2*-1
InChIKeyHAUBSNVSHSPFCD-UHFFFAOYSA-N
MW243.06 g/mol
LogP-4.33
Rot. Bonds2

About dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid

dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 173062807) has the molecular formula C6H6F3Li2NO3S and a molecular weight of 243.06 g/mol. Its IUPAC name is dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Namedilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID173062807
Molecular FormulaC6H6F3Li2NO3S
Molecular Weight243.06 g/mol
Exact Mass243.03
IUPAC Namedilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(O)C(F)(F)F)s1.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C6H4F3NO3S.2Li.2H/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;;;/h1,3,11H,(H,12,13);;;;/q;2*+1;2*-1
InChIKeyHAUBSNVSHSPFCD-UHFFFAOYSA-N
XLogP-4.33
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 5-4.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
Potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915093
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
Dilithium 5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
CID 67315404
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
(1R)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402219
(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402757
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxamide
CID 69594396
Ethanone, 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-thiazolyl]-
CID 71294264
1,1,1,3,3,3-Hexafluoro-2-(2-(hydroxymethyl)thiazol-5-yl)propan-2-ol
CID 86638586
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 112639696

Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid (CID 173062807) is dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(C(O)C(F)(F)F)s1.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is HAUBSNVSHSPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S.2Li.2H/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13;;;;/h1,3,11H,(H,12,13);;;;/q;2*+1;2*-1.
What are the key properties of dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 243.06 g/mol, XLogP of -4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 173062807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).