2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide

C11H8Br2N2OS — CID 104579091

IUPAC2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2OS/c12-7-1-2-9(10(13)3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyHYSSWPTXCYQUAH-UHFFFAOYSA-N
MW376.07 g/mol
LogP3.60
Rot. Bonds3

About 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 104579091) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID104579091
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC Name2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2OS/c12-7-1-2-9(10(13)3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyHYSSWPTXCYQUAH-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
CID 104579127
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759054
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 107952210

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 104579091) is 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide is O=C(NCc1cncs1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is HYSSWPTXCYQUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c12-7-1-2-9(10(13)3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide?
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 376.07 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104579091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).