2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C10H9BrFN3O2S2 — CID 107626860

IUPAC2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H9BrFN3O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(12)2-3-7(8)11/h2-4,15H,1H3,(H2,13,14)
InChIKeyUNMJVWLNLDYVNZ-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 107626860) has the molecular formula C10H9BrFN3O2S2 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID107626860
Molecular FormulaC10H9BrFN3O2S2
Molecular Weight366.24 g/mol
Exact Mass364.93
IUPAC Name2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H9BrFN3O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(12)2-3-7(8)11/h2-4,15H,1H3,(H2,13,14)
InChIKeyUNMJVWLNLDYVNZ-UHFFFAOYSA-N
XLogP2.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107613618
2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946589
2-amino-N-(2,5-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944797
2-amino-N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946583
2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 63945185
2-amino-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944418
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 107626860) is 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UNMJVWLNLDYVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(12)2-3-7(8)11/h2-4,15H,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107626860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).