3-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-phenol
Basic information
- CAS
5747-94-4- Standard SMILES
Cc1nc(N)sc1-c1csc(Nc2cccc(O)c2)n1- InChIKey
JLDATSLIWHFYTF-UHFFFAOYSA-N- Molecular formula
- C13H12N4OS2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.04525337
Names & identifiers
- Preferred name
- 3-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-phenol
- IUPAC
- 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
Names & synonyms
5747-94-43-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-phenolCHEMBL16135873-[(2'-amino-4'-methyl-4,5'-bi-1,3-thiazol-2-yl)amino]phenol3-[(2'-Amino-4'-methyl[4,5'-bi-1,3-thiazol]-2-yl)amino]phenolCambridge id 5747944MLS001209379DTXSID70386585HMS2847C22BDBM505363613-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenolAKOS000565181
Show more names
SMR000515566AB00095662-01AG-690/12243206SR-01000477273SR-01000477273-1
Database identifiers
- CAS
5747-94-4- PubChem CID
- 2866437
- DTXSID
DTXSID70386585- ChEMBL
CHEMBL1613587
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility34.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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