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

C10H7N3O3S — CID 670500

IUPAC2-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O3S/c14-9(12-10-11-5-6-17-10)7-3-1-2-4-8(7)13(15)16/h1-6H,(H,11,12,14)
InChIKeyWJDNQCITOMEIGG-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.30
Rot. Bonds3

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

2-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 670500) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID670500
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name2-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O3S/c14-9(12-10-11-5-6-17-10)7-3-1-2-4-8(7)13(15)16/h1-6H,(H,11,12,14)
InChIKeyWJDNQCITOMEIGG-UHFFFAOYSA-N
XLogP2.30
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.30
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

4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
N-2-Thiazolylbenzamide
CID 569547
N-(5-nitro-2-thiazolyl)benzamide
CID 47359
4-Nitro-N-(2-thiazolyl)benzamide
CID 230363
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
4-chloro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 749218
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
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
4-(dimethylamino)-N-(thiazol-2-yl)benzamide
CID 2463677
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792
4-chloro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 717964

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 670500) is 2-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-nitro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WJDNQCITOMEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c14-9(12-10-11-5-6-17-10)7-3-1-2-4-8(7)13(15)16/h1-6H,(H,11,12,14).
What are the key properties of 2-nitro-N-(1,3-thiazol-2-yl)benzamide?
2-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).