5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide

C11H13N3O3S2 — CID 154989865

IUPAC5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N)nc2C)cc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O3S2/c1-6-10(18-11(12)14-6)7-3-4-8(17-2)9(5-7)19(13,15)16/h3-5H,1-2H3,(H2,12,14)(H2,13,15,16)
InChIKeyIHWISEUZJLRLGE-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.36
Rot. Bonds3

About 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide

5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 154989865) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID154989865
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N)nc2C)cc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O3S2/c1-6-10(18-11(12)14-6)7-3-4-8(17-2)9(5-7)19(13,15)16/h3-5H,1-2H3,(H2,12,14)(H2,13,15,16)
InChIKeyIHWISEUZJLRLGE-UHFFFAOYSA-N
XLogP1.36
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061302
4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 2059073
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 127031333
N-[5-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 172397871
N-[5-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 172397876
N-[5-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 172397877
N-[5-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide
CID 172397899
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)-2-methoxybenzenesulfonamide
CID 121452598
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452652
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(2-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452659
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 89493779

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide (CID 154989865) is 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide is COc1ccc(-c2sc(N)nc2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is IHWISEUZJLRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-6-10(18-11(12)14-6)7-3-4-8(17-2)9(5-7)19(13,15)16/h3-5H,1-2H3,(H2,12,14)(H2,13,15,16).
What are the key properties of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide?
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 154989865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).