2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C12H10Br2N2OS — CID 87665805

IUPAC2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CBr)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H10Br2N2OS/c1-7-11(8-2-4-9(14)5-3-8)16-12(18-7)15-10(17)6-13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyLCVUHRYLVNCWNM-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.21
Rot. Bonds3

About 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87665805) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87665805
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CBr)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H10Br2N2OS/c1-7-11(8-2-4-9(14)5-3-8)16-12(18-7)15-10(17)6-13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyLCVUHRYLVNCWNM-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.21
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

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112809648
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112795427
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 87665805) is 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)CBr)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LCVUHRYLVNCWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c1-7-11(8-2-4-9(14)5-3-8)16-12(18-7)15-10(17)6-13/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 390.10 g/mol, XLogP of 4.21, 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)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).