sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate

C11H7FNNaO2S — CID 165467667

IUPACsodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1sc(C(=O)[O-])nc1-c1ccc(F)cc1.[Na+]
InChIInChI=1S/C11H8FNO2S.Na/c1-6-9(13-10(16-6)11(14)15)7-2-4-8(12)5-3-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeyJIQUXJHBLHBWIU-UHFFFAOYSA-M
MW259.24 g/mol
LogP-1.37
Rot. Bonds2

About sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate

sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 165467667) has the molecular formula C11H7FNNaO2S and a molecular weight of 259.24 g/mol. Its IUPAC name is sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate
PubChem CID165467667
Molecular FormulaC11H7FNNaO2S
Molecular Weight259.24 g/mol
Exact Mass259.01
IUPAC Namesodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1sc(C(=O)[O-])nc1-c1ccc(F)cc1.[Na+]
InChIInChI=1S/C11H8FNO2S.Na/c1-6-9(13-10(16-6)11(14)15)7-2-4-8(12)5-3-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeyJIQUXJHBLHBWIU-UHFFFAOYSA-M
XLogP-1.37
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate (CID 165467667) is sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate is Cc1sc(C(=O)[O-])nc1-c1ccc(F)cc1.[Na+].
What is the InChIKey of sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is JIQUXJHBLHBWIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8FNO2S.Na/c1-6-9(13-10(16-6)11(14)15)7-2-4-8(12)5-3-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate?
sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 259.24 g/mol, XLogP of -1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 165467667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).