3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

C11H7F2N3O3S — CID 121006074

IUPAC3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1csc(NC(=O)c2cc(F)cc(F)c2[N+](=O)[O-])n1
InChIInChI=1S/C11H7F2N3O3S/c1-5-4-20-11(14-5)15-10(17)7-2-6(12)3-8(13)9(7)16(18)19/h2-4H,1H3,(H,14,15,17)
InChIKeyOHGUROBLEIRBIU-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.89
Rot. Bonds3

About 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (PubChem CID 121006074) has the molecular formula C11H7F2N3O3S and a molecular weight of 299.26 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
PubChem CID121006074
Molecular FormulaC11H7F2N3O3S
Molecular Weight299.26 g/mol
Exact Mass299.02
IUPAC Name3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1csc(NC(=O)c2cc(F)cc(F)c2[N+](=O)[O-])n1
InChIInChI=1S/C11H7F2N3O3S/c1-5-4-20-11(14-5)15-10(17)7-2-6(12)3-8(13)9(7)16(18)19/h2-4H,1H3,(H,14,15,17)
InChIKeyOHGUROBLEIRBIU-UHFFFAOYSA-N
XLogP2.89
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.89
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'}

Analyze 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2-phenylsulfanylbenzamide
CID 4785487
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 60815660
methyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate
CID 2679311
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 18203866
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (CID 121006074) is 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is Cc1csc(NC(=O)c2cc(F)cc(F)c2[N+](=O)[O-])n1.
What is the InChIKey of 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The InChIKey is OHGUROBLEIRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3S/c1-5-4-20-11(14-5)15-10(17)7-2-6(12)3-8(13)9(7)16(18)19/h2-4H,1H3,(H,14,15,17).
What are the key properties of 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide has a molecular weight of 299.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 121006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).