2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide

C11H8Br2N2OS — CID 87665337

IUPAC2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H8Br2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKeyLABGFYWLTSAEIS-UHFFFAOYSA-N
MW376.07 g/mol
LogP3.91
Rot. Bonds3

About 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87665337) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87665337
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC Name2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H8Br2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKeyLABGFYWLTSAEIS-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
2-bromo-N-[4-(4-but-1-ynylphenyl)-1,3-thiazol-2-yl]acetamide
CID 89120047
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 87665337) is 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CBr)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LABGFYWLTSAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 376.07 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87665337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).