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

C15H18BrN3O2S2 — CID 137411851

IUPACN-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(Br)s2)c(S(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H18BrN3O2S2/c1-9(20)18-10-5-6-11(14-17-8-13(16)22-14)12(7-10)23(21)19-15(2,3)4/h5-8,19H,1-4H3,(H,18,20)
InChIKeyUFILGCUDUBJHPD-UHFFFAOYSA-N
MW416.37 g/mol
LogP3.94
Rot. Bonds4

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

N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide (PubChem CID 137411851) has the molecular formula C15H18BrN3O2S2 and a molecular weight of 416.37 g/mol. Its IUPAC name is N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide
PubChem CID137411851
Molecular FormulaC15H18BrN3O2S2
Molecular Weight416.37 g/mol
Exact Mass415.00
IUPAC NameN-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(Br)s2)c(S(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H18BrN3O2S2/c1-9(20)18-10-5-6-11(14-17-8-13(16)22-14)12(7-10)23(21)19-15(2,3)4/h5-8,19H,1-4H3,(H,18,20)
InChIKeyUFILGCUDUBJHPD-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butylsulfinamoyl-4-[2-[4-(methanesulfonamido)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 137411835
propan-2-yl 4-[5-(4-acetamido-2-tert-butylsulfinamoylphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 138462624
N-[4-(2-bromo-1,3-thiazol-5-yl)-3-tert-butylsulfinamoylphenyl]formamide
CID 155746879
N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane
CID 158354690
propan-2-yl N-[3-tert-butylsulfinamoyl-4-(1,3-thiazol-5-yl)phenyl]carbamate;propan-2-yl N-cyclobutylcarbamate
CID 155746901
5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide
CID 137408595
N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 137411863
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 137411781
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(methanethioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 142516649
propan-2-yl N-[4-[5-[4-(benzylcarbamoylamino)-2-tert-butylsulfinamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 138462886
tert-butyl 4-[5-[2-tert-butylsulfinamoyl-4-(pyridin-2-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 155429210
N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 164991736

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide?
The IUPAC name of N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide (CID 137411851) is N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide.
What is the SMILES notation for N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide?
The canonical SMILES for N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide is CC(=O)Nc1ccc(-c2ncc(Br)s2)c(S(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide?
The InChIKey is UFILGCUDUBJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S2/c1-9(20)18-10-5-6-11(14-17-8-13(16)22-14)12(7-10)23(21)19-15(2,3)4/h5-8,19H,1-4H3,(H,18,20).
What are the key properties of N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide?
N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide has a molecular weight of 416.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide is sourced from PubChem (CID 137411851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).