4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

C22H16N4O3S — CID 68604161

IUPAC4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NN(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O3S/c27-21(17-11-13-19(14-12-17)26(28)29)24-25(18-9-5-2-6-10-18)22-23-20(15-30-22)16-7-3-1-4-8-16/h1-15H,(H,24,27)
InChIKeyWGPYLOBKPOKJLJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.20
Rot. Bonds6

About 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 68604161) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID68604161
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC Name4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NN(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O3S/c27-21(17-11-13-19(14-12-17)26(28)29)24-25(18-9-5-2-6-10-18)22-23-20(15-30-22)16-7-3-1-4-8-16/h1-15H,(H,24,27)
InChIKeyWGPYLOBKPOKJLJ-UHFFFAOYSA-N
XLogP5.20
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 19176230
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026
N-[4-[2-(N-methylanilino)-1,3-thiazol-4-yl]phenyl]-3-nitrobenzamide
CID 4527417
3-[[4-[(4-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]anilino)methyl]benzoyl]amino]propanoic acid
CID 142846224
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 45045947
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
methyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 4169959
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5192014
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4843850
4-ethoxy-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2554505
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22530681

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (CID 68604161) is 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is O=C(NN(c1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is WGPYLOBKPOKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c27-21(17-11-13-19(14-12-17)26(28)29)24-25(18-9-5-2-6-10-18)22-23-20(15-30-22)16-7-3-1-4-8-16/h1-15H,(H,24,27).
What are the key properties of 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 416.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 68604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).