Basic information
- CAS
5744-17-2- Standard SMILES
Cc1nc(N)sc1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1- InChIKey
IUTRDKUXDKXXSW-UHFFFAOYSA-N- Molecular formula
- C13H13N5O2S3
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.0231382
Names & identifiers
- Preferred name
- 4-{[4-(2-Amino-4-methyl-1,3-thiazol-5-YL)-1,3-thiazol-2-YL]amino}benzenesulfonamide
- IUPAC
- 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
Names & synonyms
5744-17-2CHEMBL1305300STK0151484-[(2'-amino-4'-methyl-4,5'-bi-1,3-thiazol-2-yl)amino]benzenesulfonamide4-{[4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)-1,3-THIAZOL-2-YL]AMINO}BENZENESULFONAMIDE4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide4-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamideCBMicro_030065MLS001203762SCHEMBL3511940DTXSID20367389HMS2824P15
Show more names
HTS14571BDBM50536354AKOS000565294SMR000515570BIM-0029971.P001ST50005411AG-690/122424564-[(2'-Amino-4'-methyl[4,5'-bi-1,3-thiazol]-2-yl)amino]benzene-1-sulfonamide
Database identifiers
- CAS
5744-17-2- PubChem CID
- 2263166
- DTXSID
DTXSID20367389- ChEMBL
CHEMBL1305300
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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