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

C17H13N3O3S — CID 4598640

IUPACN-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16(19-17-18-11-14(24-17)20(22)23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19,21)
InChIKeyBPICRUXEWBUTRR-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.82
Rot. Bonds5

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

N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 4598640) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
PubChem CID4598640
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16(19-17-18-11-14(24-17)20(22)23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19,21)
InChIKeyBPICRUXEWBUTRR-UHFFFAOYSA-N
XLogP3.82
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.82
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

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-(5-nitro-2-thiazolyl)benzamide
CID 47359
2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2726122
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 2853283
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2904045
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2939776
2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2963114
2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2905580
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2905052
N-(5-Nitrothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 4328817

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide (CID 4598640) is N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide is O=C(Nc1ncc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide?
The InChIKey is BPICRUXEWBUTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-16(19-17-18-11-14(24-17)20(22)23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19,21).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide?
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 339.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 4598640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).