2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

C16H11N3O3S — CID 47028167

IUPAC2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3S/c20-15(12-8-4-5-9-13(12)19(21)22)18-16-17-10-14(23-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
InChIKeyCZMOUJGSHGVOFZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.97
Rot. Bonds4

About 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 47028167) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID47028167
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3S/c20-15(12-8-4-5-9-13(12)19(21)22)18-16-17-10-14(23-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
InChIKeyCZMOUJGSHGVOFZ-UHFFFAOYSA-N
XLogP3.97
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 3027130
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
2-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4285896
2-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoic acid
CID 19133212
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (CID 47028167) is 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CZMOUJGSHGVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-15(12-8-4-5-9-13(12)19(21)22)18-16-17-10-14(23-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20).
What are the key properties of 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 325.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47028167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).