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

C11H10BrN3O3S — CID 162319898

IUPAC2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
SMILESBr.Cc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O3S.BrH/c1-7-8(3-2-4-9(7)14(16)17)10(15)13-11-12-5-6-18-11;/h2-6H,1H3,(H,12,13,15);1H
InChIKeyAKZZHMWONRCGRI-UHFFFAOYSA-N
MW344.19 g/mol
LogP3.19
Rot. Bonds3

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

2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide (PubChem CID 162319898) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
PubChem CID162319898
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC Name2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
SMILESBr.Cc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O3S.BrH/c1-7-8(3-2-4-9(7)14(16)17)10(15)13-11-12-5-6-18-11;/h2-6H,1H3,(H,12,13,15);1H
InChIKeyAKZZHMWONRCGRI-UHFFFAOYSA-N
XLogP3.19
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.19
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 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide 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

2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
3-[2-methyl-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77073019
2-methyl-3-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914285
2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide?
The IUPAC name of 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide (CID 162319898) is 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide.
What is the SMILES notation for 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide?
The canonical SMILES for 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide is Br.Cc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide?
The InChIKey is AKZZHMWONRCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S.BrH/c1-7-8(3-2-4-9(7)14(16)17)10(15)13-11-12-5-6-18-11;/h2-6H,1H3,(H,12,13,15);1H.
What are the key properties of 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide?
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide has a molecular weight of 344.19 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide is sourced from PubChem (CID 162319898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).