Basic information
- CAS
6014-37-5- Standard SMILES
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccs1- InChIKey
ZHAAIURCQLUGPE-UHFFFAOYSA-N- Molecular formula
- C18H12N2OS2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.03910536
Names & identifiers
- Preferred name
- F0725-0480
- IUPAC
- N-[3-(1,3-benzothiazol-2-yl)phenyl]thiophene-2-carboxamide
Names & synonyms
F0725-04806014-37-5DTXSID50387090RefChem:345356DTXCID40338112N-[3-(1,3-benzothiazol-2-yl)phenyl]thiophene-2-carboxamideMLS000585136312742-51-1SMR000203899N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-thiophenecarboxamideCBMicro_010283Oprea1_238862
Show more names
CHEMBL1606962BDBM74841cid_2880652N-(3-(benzo[d]thiazol-2-yl)phenyl)thiophene-2-carboxamideHMS2621L15SMSSF-0085412SMSF0011348AKOS001642517
Database identifiers
- CAS
6014-37-5- PubChem CID
- 2880652
- DTXSID
DTXSID50387090- ChEMBL
CHEMBL1606962
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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