3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C11H10FN3OS — CID 168616989

IUPAC3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2ccc(O)cc2F)n1
InChIInChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-2-3-9(16)4-10(8)12/h2-6,16H,1H3,(H,14,15)
InChIKeyGLLLXUYODSPAJB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.74
Rot. Bonds3

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

3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168616989) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168616989
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2ccc(O)cc2F)n1
InChIInChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-2-3-9(16)4-10(8)12/h2-6,16H,1H3,(H,14,15)
InChIKeyGLLLXUYODSPAJB-UHFFFAOYSA-N
XLogP2.74
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168616989) is 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1csc(NN=Cc2ccc(O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is GLLLXUYODSPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-2-3-9(16)4-10(8)12/h2-6,16H,1H3,(H,14,15).
What are the key properties of 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 251.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168616989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).