N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C12H12Br2N2OS2 — CID 5044299

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSC2=NCCS2)c(Br)c1
InChIInChI=1S/C12H12Br2N2OS2/c1-7-4-8(13)11(9(14)5-7)16-10(17)6-19-12-15-2-3-18-12/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyHFDMKSFQHDZJCA-UHFFFAOYSA-N
MW424.18 g/mol
LogP4.29
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 5044299) has the molecular formula C12H12Br2N2OS2 and a molecular weight of 424.18 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID5044299
Molecular FormulaC12H12Br2N2OS2
Molecular Weight424.18 g/mol
Exact Mass421.88
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSC2=NCCS2)c(Br)c1
InChIInChI=1S/C12H12Br2N2OS2/c1-7-4-8(13)11(9(14)5-7)16-10(17)6-19-12-15-2-3-18-12/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyHFDMKSFQHDZJCA-UHFFFAOYSA-N
XLogP4.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 845171
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 7856042
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 9408758
N'-acetyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetohydrazide
CID 9373062
4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 1133694
N-(5-chloro-2-fluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 17403421
2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 924627
dimethyl 5-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9454306
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 5044299) is N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is Cc1cc(Br)c(NC(=O)CSC2=NCCS2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is HFDMKSFQHDZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2OS2/c1-7-4-8(13)11(9(14)5-7)16-10(17)6-19-12-15-2-3-18-12/h4-5H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 424.18 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 5044299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).