N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
Basic information
- CAS
795286-53-2- Standard SMILES
Cc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(Cl)cc1- InChIKey
VODWZVGIDNOOJU-UHFFFAOYSA-N- Molecular formula
- C13H11ClN6OS
- Average molar mass
- 334.79 g/mol
- Monoisotopic mass
- 334.0403579
Names & identifiers
- Preferred name
- N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
- IUPAC
- N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
Names & synonyms
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamideMLS000770172CHEMBL1350633DTXSID401330228HMS2681F03AKOS034139548795286-53-2SMR000343617AB00603037-02Z30660928N-[4-(4-Chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1H-tetrazol-1-yl)acetamide
Database identifiers
- CAS
795286-53-2- PubChem CID
- 2446277
- DTXSID
DTXSID401330228- ChEMBL
CHEMBL1350633
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility0.9 [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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