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

C11H13N3O2S2 — CID 63945185

IUPAC2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C11H13N3O2S2/c1-7-4-3-5-9(6-7)14-18(15,16)10-8(2)13-11(12)17-10/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyDKGIDCAYRHWFCT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.14
Rot. Bonds3

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

2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945185) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID63945185
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C11H13N3O2S2/c1-7-4-3-5-9(6-7)14-18(15,16)10-8(2)13-11(12)17-10/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyDKGIDCAYRHWFCT-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946589
2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945975
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-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107613618
2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 166223413
2-amino-4-methyl-N-(thiadiazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 114912937
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
2-amino-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944418
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107855913
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide (CID 63945185) is 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2sc(N)nc2C)c1.
What is the InChIKey of 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is DKGIDCAYRHWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-4-3-5-9(6-7)14-18(15,16)10-8(2)13-11(12)17-10/h3-6,14H,1-2H3,(H2,12,13).
What are the key properties of 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).