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

C12H9FN4S — CID 168619710

IUPAC3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2c(F)cccc2C#N)n1
InChIInChI=1S/C12H9FN4S/c1-8-7-18-12(16-8)17-15-6-10-9(5-14)3-2-4-11(10)13/h2-4,6-7H,1H3,(H,16,17)
InChIKeyAODYCUQDXYIFKC-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.91
Rot. Bonds3

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

3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (PubChem CID 168619710) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
PubChem CID168619710
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2c(F)cccc2C#N)n1
InChIInChI=1S/C12H9FN4S/c1-8-7-18-12(16-8)17-15-6-10-9(5-14)3-2-4-11(10)13/h2-4,6-7H,1H3,(H,16,17)
InChIKeyAODYCUQDXYIFKC-UHFFFAOYSA-N
XLogP2.91
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(6-chloro-2,3-difluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617069
N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617104
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619300
N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618071
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
N-[(5-ethynyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619478

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (CID 168619710) is 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is Cc1csc(NN=Cc2c(F)cccc2C#N)n1.
What is the InChIKey of 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is AODYCUQDXYIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c1-8-7-18-12(16-8)17-15-6-10-9(5-14)3-2-4-11(10)13/h2-4,6-7H,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 168619710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).