4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole

C11H12BrN3O2S2 — CID 18870687

IUPAC4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H12BrN3O2S2/c1-15(2)19(16,17)14-11-13-10(7-18-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyVOASSJOXCAQMFF-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.79
Rot. Bonds4

About 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole

4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole (PubChem CID 18870687) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
PubChem CID18870687
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H12BrN3O2S2/c1-15(2)19(16,17)14-11-13-10(7-18-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyVOASSJOXCAQMFF-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylsulfamoylamino)-4-phenyl-1,3-thiazole
CID 18870688
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole (CID 18870687) is 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole is CN(C)S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole?
The InChIKey is VOASSJOXCAQMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c1-15(2)19(16,17)14-11-13-10(7-18-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole?
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole has a molecular weight of 362.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole is sourced from PubChem (CID 18870687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).