2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

C11H10BrN3O2S — CID 106382415

IUPAC2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-2-9(13)8(3-6)10(16)14-4-7-5-18-11(17)15-7/h1-3,5H,4,13H2,(H,14,16)(H,15,17)
InChIKeyRVLJDWLWBGTHBQ-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 106382415) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID106382415
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-2-9(13)8(3-6)10(16)14-4-7-5-18-11(17)15-7/h1-3,5H,4,13H2,(H,14,16)(H,15,17)
InChIKeyRVLJDWLWBGTHBQ-UHFFFAOYSA-N
XLogP1.71
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
2-bromo-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 113341004
5-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382748
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 106383418
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
4-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 114181500
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 106382415) is 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is Nc1ccc(Br)cc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is RVLJDWLWBGTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-6-1-2-9(13)8(3-6)10(16)14-4-7-5-18-11(17)15-7/h1-3,5H,4,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 328.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 106382415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).