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

C10H5F2N3O3S — CID 115736037

IUPAC2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H5F2N3O3S/c11-6-4-8(15(17)18)7(12)3-5(6)9(16)14-10-13-1-2-19-10/h1-4H,(H,13,14,16)
InChIKeyZVPRJZZWPHAOSX-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.58
Rot. Bonds3

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

2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 115736037) has the molecular formula C10H5F2N3O3S and a molecular weight of 285.23 g/mol. Its IUPAC name is 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID115736037
Molecular FormulaC10H5F2N3O3S
Molecular Weight285.23 g/mol
Exact Mass285.00
IUPAC Name2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H5F2N3O3S/c11-6-4-8(15(17)18)7(12)3-5(6)9(16)14-10-13-1-2-19-10/h1-4H,(H,13,14,16)
InChIKeyZVPRJZZWPHAOSX-UHFFFAOYSA-N
XLogP2.58
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.58
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

2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
2,5-difluoro-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 104699379
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 115736037) is 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZVPRJZZWPHAOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O3S/c11-6-4-8(15(17)18)7(12)3-5(6)9(16)14-10-13-1-2-19-10/h1-4H,(H,13,14,16).
What are the key properties of 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 285.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 115736037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).