2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C16H11ClFN3OS — CID 168577431

IUPAC2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-13-7-12(18)6-11(15(13)22)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)
InChIKeyCYXWXICOLMRLIF-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168577431) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168577431
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-13-7-12(18)6-11(15(13)22)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)
InChIKeyCYXWXICOLMRLIF-UHFFFAOYSA-N
XLogP4.75
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.75
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 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168577431) is 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CYXWXICOLMRLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-13-7-12(18)6-11(15(13)22)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21).
What are the key properties of 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 347.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168577431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).