4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide

C16H12N4O3S — CID 27257229

IUPAC4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3S/c21-15(19-16-17-8-9-24-16)11-6-7-13(14(10-11)20(22)23)18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21)
InChIKeyWRJCQIZGBLQYFG-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.05
Rot. Bonds5

About 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide

4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 27257229) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID27257229
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3S/c21-15(19-16-17-8-9-24-16)11-6-7-13(14(10-11)20(22)23)18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21)
InChIKeyWRJCQIZGBLQYFG-UHFFFAOYSA-N
XLogP4.05
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
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

4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865592
4-anilino-3-nitrobenzoic acid
CID 3824366
3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 4572034
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
ethyl 2-[2-[(4-anilino-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 17481677
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
4-anilino-N-[4-(cyanomethoxy)phenyl]-3-nitrobenzamide
CID 24674135

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 27257229) is 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WRJCQIZGBLQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-15(19-16-17-8-9-24-16)11-6-7-13(14(10-11)20(22)23)18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21).
What are the key properties of 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 340.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 27257229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).