4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide

C23H19N5O3S — CID 108748555

IUPAC4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H19N5O3S/c1-27(2)20-9-8-16(12-21(20)28(30)31)22(29)25-18-7-3-5-15(11-18)19-14-32-23(26-19)17-6-4-10-24-13-17/h3-14H,1-2H3,(H,25,29)
InChIKeyZPAFMOKXNJXTDX-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.10
Rot. Bonds6

About 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide

4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108748555) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108748555
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H19N5O3S/c1-27(2)20-9-8-16(12-21(20)28(30)31)22(29)25-18-7-3-5-15(11-18)19-14-32-23(26-19)17-6-4-10-24-13-17/h3-14H,1-2H3,(H,25,29)
InChIKeyZPAFMOKXNJXTDX-UHFFFAOYSA-N
XLogP5.10
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
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'}

Analyze 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]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

2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108748606
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
3-nitro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 108748413
4-(dimethylamino)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-nitrobenzamide
CID 108738372
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 5154094
3-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylbenzamide
CID 40676286
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108748555) is 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is ZPAFMOKXNJXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-27(2)20-9-8-16(12-21(20)28(30)31)22(29)25-18-7-3-5-15(11-18)19-14-32-23(26-19)17-6-4-10-24-13-17/h3-14H,1-2H3,(H,25,29).
What are the key properties of 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 445.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108748555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).