2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

C13H12Br2N2OS — CID 104919793

IUPAC2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cc(Br)ccc1Br)c1nccs1
InChIInChI=1S/C13H12Br2N2OS/c1-13(2,12-16-5-6-19-12)17-11(18)9-7-8(14)3-4-10(9)15/h3-7H,1-2H3,(H,17,18)
InChIKeyFUZZGDSOVOIJPA-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.33
Rot. Bonds3

About 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 104919793) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID104919793
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC Name2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cc(Br)ccc1Br)c1nccs1
InChIInChI=1S/C13H12Br2N2OS/c1-13(2,12-16-5-6-19-12)17-11(18)9-7-8(14)3-4-10(9)15/h3-7H,1-2H3,(H,17,18)
InChIKeyFUZZGDSOVOIJPA-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
CID 107091806
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562
5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 146149973
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113236974
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 104919793) is 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1cc(Br)ccc1Br)c1nccs1.
What is the InChIKey of 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is FUZZGDSOVOIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-13(2,12-16-5-6-19-12)17-11(18)9-7-8(14)3-4-10(9)15/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 404.13 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 104919793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).