2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide

C15H15Cl3N2OS2 — CID 3347675

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)(C)c1csc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C15H15Cl3N2OS2/c1-15(2,3)11-6-22-14(19-11)23-7-12(21)20-13-9(17)4-8(16)5-10(13)18/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyLGXYSBDFIJAOPA-UHFFFAOYSA-N
MW409.79 g/mol
LogP6.13
Rot. Bonds4

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide

2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 3347675) has the molecular formula C15H15Cl3N2OS2 and a molecular weight of 409.79 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID3347675
Molecular FormulaC15H15Cl3N2OS2
Molecular Weight409.79 g/mol
Exact Mass407.97
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)(C)c1csc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C15H15Cl3N2OS2/c1-15(2,3)11-6-22-14(19-11)23-7-12(21)20-13-9(17)4-8(16)5-10(13)18/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyLGXYSBDFIJAOPA-UHFFFAOYSA-N
XLogP6.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602168
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-chloro-3,5-dimethoxyphenyl)acetamide
CID 3331499
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3963869
dimethyl 2-[[2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 5137695
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
CID 4986220
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2037593
4-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
CID 134065444
N-(4-bromo-2-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 24571086
N-(2-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide (CID 3347675) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide is CC(C)(C)c1csc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is LGXYSBDFIJAOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2OS2/c1-15(2,3)11-6-22-14(19-11)23-7-12(21)20-13-9(17)4-8(16)5-10(13)18/h4-6H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide?
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 409.79 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 3347675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).