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

C11H10FN3OS — CID 168616919

IUPAC4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(F)ccc2O)n1
InChIInChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-4-9(12)2-3-10(8)16/h2-6,16H,1H3,(H,14,15)
InChIKeyZDOJDWRIDNKMFV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.74
Rot. Bonds3

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

4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168616919) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168616919
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(F)ccc2O)n1
InChIInChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-4-9(12)2-3-10(8)16/h2-6,16H,1H3,(H,14,15)
InChIKeyZDOJDWRIDNKMFV-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_A(479)', '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 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168616919) is 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1csc(NN=Cc2cc(F)ccc2O)n1.
What is the InChIKey of 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ZDOJDWRIDNKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-6-17-11(14-7)15-13-5-8-4-9(12)2-3-10(8)16/h2-6,16H,1H3,(H,14,15).
What are the key properties of 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
4-fluoro-2-[[(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 4-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168616919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).