N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide

C26H23N5O3S — CID 2386507

IUPACN-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide
SMILESC=C(Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\Cc1ccccc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C26H23N5O3S/c1-18(22-9-6-10-23(15-22)28-19(2)32)29-30-25(21-11-13-24(14-12-21)31(33)34)17-35-26(30)27-16-20-7-4-3-5-8-20/h3-15,17,29H,1,16H2,2H3,(H,28,32)/b27-26-
InChIKeyFZSDHGLODCAMKZ-RQZHXJHFSA-N
MW485.57 g/mol
LogP5.40
Rot. Bonds8

About N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide

N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide (PubChem CID 2386507) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide
PubChem CID2386507
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC NameN-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide
SMILESC=C(Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\Cc1ccccc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C26H23N5O3S/c1-18(22-9-6-10-23(15-22)28-19(2)32)29-30-25(21-11-13-24(14-12-21)31(33)34)17-35-26(30)27-16-20-7-4-3-5-8-20/h3-15,17,29H,1,16H2,2H3,(H,28,32)/b27-26-
InChIKeyFZSDHGLODCAMKZ-RQZHXJHFSA-N
XLogP5.40
TPSA101.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide
CID 18871338
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
(3-nitrophenyl)methyl 3-acetamidobenzoate
CID 2582139
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide (CID 2386507) is N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide is C=C(Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\Cc1ccccc1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide?
The InChIKey is FZSDHGLODCAMKZ-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-18(22-9-6-10-23(15-22)28-19(2)32)29-30-25(21-11-13-24(14-12-21)31(33)34)17-35-26(30)27-16-20-7-4-3-5-8-20/h3-15,17,29H,1,16H2,2H3,(H,28,32)/b27-26-.
What are the key properties of N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide?
N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide has a molecular weight of 485.57 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide is sourced from PubChem (CID 2386507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).