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

C11H9BrN2O2S — CID 103775053

IUPAC4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(=O)[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2S/c12-8-3-1-7(2-4-8)10(15)13-5-9-6-17-11(16)14-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
InChIKeyURWBTEYEOONGNK-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.13
Rot. Bonds3

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

4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 103775053) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID103775053
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(=O)[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2S/c12-8-3-1-7(2-4-8)10(15)13-5-9-6-17-11(16)14-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
InChIKeyURWBTEYEOONGNK-UHFFFAOYSA-N
XLogP2.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
3-hydroxy-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862858
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
2-bromo-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 113341004
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383210
3-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383203

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 103775053) is 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is O=C(NCc1csc(=O)[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is URWBTEYEOONGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-8-3-1-7(2-4-8)10(15)13-5-9-6-17-11(16)14-9/h1-4,6H,5H2,(H,13,15)(H,14,16).
What are the key properties of 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 313.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 103775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).