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

C12H10N4S — CID 168616860

IUPAC2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2ccccc2C#N)n1
InChIInChI=1S/C12H10N4S/c1-9-8-17-12(15-9)16-14-7-11-5-3-2-4-10(11)6-13/h2-5,7-8H,1H3,(H,15,16)
InChIKeyFTXAZBJVNHZDNF-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.77
Rot. Bonds3

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

2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (PubChem CID 168616860) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
PubChem CID168616860
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2ccccc2C#N)n1
InChIInChI=1S/C12H10N4S/c1-9-8-17-12(15-9)16-14-7-11-5-3-2-4-10(11)6-13/h2-5,7-8H,1H3,(H,15,16)
InChIKeyFTXAZBJVNHZDNF-UHFFFAOYSA-N
XLogP2.77
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.77
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

3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619710
N-[[4-fluoro-2-(2-phenylethynyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619089
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619300
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619609
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168617822
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
N-[[2-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619104
N-[[2-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618863

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (CID 168616860) is 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is Cc1csc(NN=Cc2ccccc2C#N)n1.
What is the InChIKey of 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is FTXAZBJVNHZDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-9-8-17-12(15-9)16-14-7-11-5-3-2-4-10(11)6-13/h2-5,7-8H,1H3,(H,15,16).
What are the key properties of 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 242.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 168616860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).