5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide

C10H11N3O2S3 — CID 79905305

IUPAC5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide
SMILESCc1c(Sc2nccs2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O2S3/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15)
InChIKeyMCHVUZUWHBXROE-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.83
Rot. Bonds3

About 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide

5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 79905305) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide
PubChem CID79905305
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC Name5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide
SMILESCc1c(Sc2nccs2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O2S3/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15)
InChIKeyMCHVUZUWHBXROE-UHFFFAOYSA-N
XLogP1.83
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide (CID 79905305) is 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide is Cc1c(Sc2nccs2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is MCHVUZUWHBXROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15).
What are the key properties of 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide?
5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 79905305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).