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

C10H8BrF2N3O2S2 — CID 107613618

IUPAC2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H8BrF2N3O2S2/c1-4-9(19-10(14)15-4)20(17,18)16-8-3-6(12)5(11)2-7(8)13/h2-3,16H,1H3,(H2,14,15)
InChIKeyDSLIUAZVFOYUTL-UHFFFAOYSA-N
MW384.23 g/mol
LogP2.88
Rot. Bonds3

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

2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 107613618) has the molecular formula C10H8BrF2N3O2S2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID107613618
Molecular FormulaC10H8BrF2N3O2S2
Molecular Weight384.23 g/mol
Exact Mass382.92
IUPAC Name2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H8BrF2N3O2S2/c1-4-9(19-10(14)15-4)20(17,18)16-8-3-6(12)5(11)2-7(8)13/h2-3,16H,1H3,(H2,14,15)
InChIKeyDSLIUAZVFOYUTL-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107626860
2-amino-N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946583
2-amino-N-(2,5-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944797
2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946589
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041
2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 63945185
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048
2-amino-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944418
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
2-amino-4-methyl-N-(thiadiazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 114912937
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 107613618) is 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DSLIUAZVFOYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O2S2/c1-4-9(19-10(14)15-4)20(17,18)16-8-3-6(12)5(11)2-7(8)13/h2-3,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 384.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107613618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).