3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C11H8FN3O3S — CID 175919780

IUPAC3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1c(F)cccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8FN3O3S/c1-6-7(3-2-4-8(6)12)10(16)14-11-13-5-9(19-11)15(17)18/h2-5H,1H3,(H,13,14,16)
InChIKeyHPFDFFLTZATWML-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.75
Rot. Bonds3

About 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 175919780) has the molecular formula C11H8FN3O3S and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID175919780
Molecular FormulaC11H8FN3O3S
Molecular Weight281.27 g/mol
Exact Mass281.03
IUPAC Name3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1c(F)cccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8FN3O3S/c1-6-7(3-2-4-8(6)12)10(16)14-11-13-5-9(19-11)15(17)18/h2-5H,1H3,(H,13,14,16)
InChIKeyHPFDFFLTZATWML-UHFFFAOYSA-N
XLogP2.75
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.75
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

methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105380941
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 45086935
N-(5-nitro-1,3-thiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310438
[3-methyl-2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbamate
CID 175919799
2-acetamido-3-(butanoylamino)-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 167361465
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
3-(methylamino)-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 115548311
2-ethoxy-6-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 167361920
1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996202

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 175919780) is 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is Cc1c(F)cccc1C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is HPFDFFLTZATWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S/c1-6-7(3-2-4-8(6)12)10(16)14-11-13-5-9(19-11)15(17)18/h2-5H,1H3,(H,13,14,16).
What are the key properties of 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 281.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 175919780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).