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

C24H18N4OS — CID 168576992

IUPAC2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H18N4OS/c25-14-20-10-4-5-11-21(20)16-29-22-12-6-7-18(13-22)15-26-28-24-27-23(17-30-24)19-8-2-1-3-9-19/h1-13,15,17H,16H2,(H,27,28)
InChIKeyBOXBNTYBKNQHHK-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.71
Rot. Bonds7

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

2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile (PubChem CID 168576992) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
PubChem CID168576992
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H18N4OS/c25-14-20-10-4-5-11-21(20)16-29-22-12-6-7-18(13-22)15-26-28-24-27-23(17-30-24)19-8-2-1-3-9-19/h1-13,15,17H,16H2,(H,27,28)
InChIKeyBOXBNTYBKNQHHK-UHFFFAOYSA-N
XLogP5.71
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576988
3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576975
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
N-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577542
4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 126070329
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576858
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
2-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627147

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile (CID 168576992) is 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile is N#Cc1ccccc1COc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The InChIKey is BOXBNTYBKNQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c25-14-20-10-4-5-11-21(20)16-29-22-12-6-7-18(13-22)15-26-28-24-27-23(17-30-24)19-8-2-1-3-9-19/h1-13,15,17H,16H2,(H,27,28).
What are the key properties of 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile has a molecular weight of 410.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 168576992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).