2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid

C12H10FN3O2S — CID 168619625

IUPAC2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESCc1csc(NN=Cc2cccc(F)c2C(=O)O)n1
InChIInChI=1S/C12H10FN3O2S/c1-7-6-19-12(15-7)16-14-5-8-3-2-4-9(13)10(8)11(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZNKUVCLZHYQZCB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.73
Rot. Bonds4

About 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid

2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (PubChem CID 168619625) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
PubChem CID168619625
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESCc1csc(NN=Cc2cccc(F)c2C(=O)O)n1
InChIInChI=1S/C12H10FN3O2S/c1-7-6-19-12(15-7)16-14-5-8-3-2-4-9(13)10(8)11(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZNKUVCLZHYQZCB-UHFFFAOYSA-N
XLogP2.73
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (CID 168619625) is 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is Cc1csc(NN=Cc2cccc(F)c2C(=O)O)n1.
What is the InChIKey of 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is ZNKUVCLZHYQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-7-6-19-12(15-7)16-14-5-8-3-2-4-9(13)10(8)11(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 168619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).