5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide

C13H16BrN3O2S2 — CID 137408595

IUPAC5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)ccc1-c1ncc(Br)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-13(2,3)17-21(18,19)10-6-8(15)4-5-9(10)12-16-7-11(14)20-12/h4-7,17H,15H2,1-3H3
InChIKeyXFLSFPBGJIJCSH-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.23
Rot. Bonds3

About 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide

5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide (PubChem CID 137408595) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide
PubChem CID137408595
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)ccc1-c1ncc(Br)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-13(2,3)17-21(18,19)10-6-8(15)4-5-9(10)12-16-7-11(14)20-12/h4-7,17H,15H2,1-3H3
InChIKeyXFLSFPBGJIJCSH-UHFFFAOYSA-N
XLogP3.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
5-amino-N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 137408563
5-amino-N-tert-butyl-2-methylbenzenesulfonamide;methane;propan-2-yl N-[4-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-1-bicyclo[2.2.2]octanyl]carbamate;propan-2-yl N-[4-(5-bromo-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]carbamate
CID 159185248
5-amino-2-(2-bromo-1,3-thiazol-5-yl)-N-tert-butylbenzenesulfonamide;propan-2-yl N-[3-(tert-butylsulfamoyl)-4-(2-methyl-1,3-thiazol-5-yl)phenyl]carbamate;propan-2-yl carbonochloridate
CID 159403863
ethyl N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]carbamate
CID 137411912
2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 137408568
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide
CID 15278739
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(methanethioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 142516649
N-[4-(5-bromo-1,3-thiazol-2-yl)-3-tert-butylsulfinamoylphenyl]acetamide
CID 137411851
2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-5-(3-benzyl-2-oxoimidazolidin-1-yl)-N-tert-butylbenzenesulfonamide
CID 137408606
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 137411781

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide (CID 137408595) is 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(N)ccc1-c1ncc(Br)s1.
What is the InChIKey of 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide?
The InChIKey is XFLSFPBGJIJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-13(2,3)17-21(18,19)10-6-8(15)4-5-9(10)12-16-7-11(14)20-12/h4-7,17H,15H2,1-3H3.
What are the key properties of 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide?
5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide has a molecular weight of 390.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 137408595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).