N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide

C12H15N3O3S2 — CID 103413904

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H15N3O3S2/c1-8-14-7-12(19-8)20(16,17)15-6-9-5-10(13)3-4-11(9)18-2/h3-5,7,15H,6,13H2,1-2H3
InChIKeyXLZSRGDSVJVIBQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.52
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413904) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103413904
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H15N3O3S2/c1-8-14-7-12(19-8)20(16,17)15-6-9-5-10(13)3-4-11(9)18-2/h3-5,7,15H,6,13H2,1-2H3
InChIKeyXLZSRGDSVJVIBQ-UHFFFAOYSA-N
XLogP1.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.52
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

N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951424
3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103413904) is N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is COc1ccc(N)cc1CNS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XLZSRGDSVJVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8-14-7-12(19-8)20(16,17)15-6-9-5-10(13)3-4-11(9)18-2/h3-5,7,15H,6,13H2,1-2H3.
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).