N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide

C24H15N3O5S — CID 19176230

IUPACN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESO=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H15N3O5S/c28-21(16-4-2-1-3-5-16)22(29)17-6-8-18(9-7-17)23(30)26-24-25-20(14-33-24)15-10-12-19(13-11-15)27(31)32/h1-14H,(H,25,26,30)
InChIKeyKTSDIEXHQVVYDT-UHFFFAOYSA-N
MW457.47 g/mol
LogP5.04
Rot. Bonds7

About N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide

N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide (PubChem CID 19176230) has the molecular formula C24H15N3O5S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
PubChem CID19176230
Molecular FormulaC24H15N3O5S
Molecular Weight457.47 g/mol
Exact Mass457.07
IUPAC NameN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESO=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H15N3O5S/c28-21(16-4-2-1-3-5-16)22(29)17-6-8-18(9-7-17)23(30)26-24-25-20(14-33-24)15-10-12-19(13-11-15)27(31)32/h1-14H,(H,25,26,30)
InChIKeyKTSDIEXHQVVYDT-UHFFFAOYSA-N
XLogP5.04
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
4-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3324049
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]-4-nitrobenzamide
CID 3954610
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
4-tert-butyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 19181134

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The IUPAC name of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide (CID 19176230) is N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide.
What is the SMILES notation for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The canonical SMILES for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide is O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The InChIKey is KTSDIEXHQVVYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O5S/c28-21(16-4-2-1-3-5-16)22(29)17-6-8-18(9-7-17)23(30)26-24-25-20(14-33-24)15-10-12-19(13-11-15)27(31)32/h1-14H,(H,25,26,30).
What are the key properties of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide has a molecular weight of 457.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide is sourced from PubChem (CID 19176230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).