5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C12H15N3O3S2 — CID 79974806

IUPAC5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H15N3O3S2/c1-7-4-10(18-3)11(5-9(7)13)20(16,17)15-12-14-6-8(2)19-12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyGBHQGIQWZSPGQN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds4

About 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 79974806) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID79974806
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H15N3O3S2/c1-7-4-10(18-3)11(5-9(7)13)20(16,17)15-12-14-6-8(2)19-12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyGBHQGIQWZSPGQN-UHFFFAOYSA-N
XLogP2.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959394
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 81413594
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059167

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 79974806) is 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)Nc1ncc(C)s1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GBHQGIQWZSPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-7-4-10(18-3)11(5-9(7)13)20(16,17)15-12-14-6-8(2)19-12/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 79974806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).