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

C17H14FN3OS — CID 168577581

IUPAC[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol
SMILESOCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1F
InChIInChI=1S/C17H14FN3OS/c18-15-8-12(6-7-14(15)10-22)9-19-21-17-20-16(11-23-17)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,20,21)
InChIKeyCDPBPJDSIUOOMJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.89
Rot. Bonds5

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

[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol (PubChem CID 168577581) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol
PubChem CID168577581
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol
SMILESOCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1F
InChIInChI=1S/C17H14FN3OS/c18-15-8-12(6-7-14(15)10-22)9-19-21-17-20-16(11-23-17)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,20,21)
InChIKeyCDPBPJDSIUOOMJ-UHFFFAOYSA-N
XLogP3.89
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.89
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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Related Compounds

N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578727
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[[4-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577109
[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol
CID 168579198
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576988
[2-fluoro-4-[(phenylhydrazinylidene)methyl]phenyl]methanol
CID 169384111
N-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578224
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol?
The IUPAC name of [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol (CID 168577581) is [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol is OCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1F.
What is the InChIKey of [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol?
The InChIKey is CDPBPJDSIUOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-15-8-12(6-7-14(15)10-22)9-19-21-17-20-16(11-23-17)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,20,21).
What are the key properties of [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol?
[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol has a molecular weight of 327.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol is sourced from PubChem (CID 168577581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).