3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C12H11N3O5S — CID 2858388

IUPAC3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC
InChIInChI=1S/C12H11N3O5S/c1-19-8-4-3-7(5-9(8)20-2)11(16)14-12-13-6-10(21-12)15(17)18/h3-6H,1-2H3,(H,13,14,16)
InChIKeyZGAMGGWNTDTICM-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.32
Rot. Bonds5

About 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 2858388) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID2858388
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC
InChIInChI=1S/C12H11N3O5S/c1-19-8-4-3-7(5-9(8)20-2)11(16)14-12-13-6-10(21-12)15(17)18/h3-6H,1-2H3,(H,13,14,16)
InChIKeyZGAMGGWNTDTICM-UHFFFAOYSA-N
XLogP2.32
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.32
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'}

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Related Compounds

Nitazoxanide
CID 41684
AR-A014418
CID 448014
3,4,5-Trimethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 606801
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
N-(5-nitrothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3126531
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3120539
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
Ethyl [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
3,4,5-trimethoxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
CID 2306173

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 2858388) is 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZGAMGGWNTDTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-19-8-4-3-7(5-9(8)20-2)11(16)14-12-13-6-10(21-12)15(17)18/h3-6H,1-2H3,(H,13,14,16).
What are the key properties of 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 309.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2858388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).