3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

C16H12FN3OS — CID 4874212

IUPAC3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESOc1cccc(-c2csc(NN=Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C16H12FN3OS/c17-13-5-1-3-11(7-13)9-18-20-16-19-15(10-22-16)12-4-2-6-14(21)8-12/h1-10,21H,(H,19,20)
InChIKeyOBKBFCCEYOYBQW-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.10
Rot. Bonds4

About 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (PubChem CID 4874212) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
PubChem CID4874212
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESOc1cccc(-c2csc(NN=Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C16H12FN3OS/c17-13-5-1-3-11(7-13)9-18-20-16-19-15(10-22-16)12-4-2-6-14(21)8-12/h1-10,21H,(H,19,20)
InChIKeyOBKBFCCEYOYBQW-UHFFFAOYSA-N
XLogP4.10
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.10
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

4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787633
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 155539204
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701560
3-[2-[(2E)-2-(pyren-1-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 126842669
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
3-[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168577848
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (CID 4874212) is 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is Oc1cccc(-c2csc(NN=Cc3cccc(F)c3)n2)c1.
What is the InChIKey of 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is OBKBFCCEYOYBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-5-1-3-11(7-13)9-18-20-16-19-15(10-22-16)12-4-2-6-14(21)8-12/h1-10,21H,(H,19,20).
What are the key properties of 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 313.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 4874212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).