2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C11H12FN3O2S2 — CID 63946589

IUPAC2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(N)nc2C)cc1F
InChIInChI=1S/C11H12FN3O2S2/c1-6-3-4-8(5-9(6)12)15-19(16,17)10-7(2)14-11(13)18-10/h3-5,15H,1-2H3,(H2,13,14)
InChIKeyVBFXMCKOMQHOBP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63946589) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63946589
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(N)nc2C)cc1F
InChIInChI=1S/C11H12FN3O2S2/c1-6-3-4-8(5-9(6)12)15-19(16,17)10-7(2)14-11(13)18-10/h3-5,15H,1-2H3,(H2,13,14)
InChIKeyVBFXMCKOMQHOBP-UHFFFAOYSA-N
XLogP2.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 63945185
2-amino-N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107613618
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
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945975
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 63946589) is 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2sc(N)nc2C)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VBFXMCKOMQHOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-6-3-4-8(5-9(6)12)15-19(16,17)10-7(2)14-11(13)18-10/h3-5,15H,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).