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Basic information
- CAS
76275-90-6- Standard SMILES
COC(=O)c1csc(-c2csc(CCNC(=O)c3ccccc3)n2)n1- InChIKey
UPFWCEADSMXVGL-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3S2
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.0554837
Names & identifiers
- Preferred name
- Methyl 2'-(2-(benzoylamino)ethyl)(2,4'-bithiazole)-4-carboxylate
- IUPAC
- methyl 2-[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
Names & synonyms
76275-90-6Methyl 2'-(2-(benzoylamino)ethyl)(2,4'-bithiazole)-4-carboxylateMethyl 2'-[2-(benzoylamino)ethyl][2,4'-bithiazole]-4-carboxylateRefChem:353508NSC 359285NSC359285methyl 2-[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylateDTXSID40320431NSC-359285Methyl 2'-(2-benzamidoethyl)[2,4'-bi-1,3-thiazole]-4-carboxylate
Database identifiers
- CAS
76275-90-6- PubChem CID
- 338134
- DTXSID
DTXSID40320431
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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