Basic information
- CAS
49701-98-6- Standard SMILES
O=C(O)Cc1ccc2sc(-c3ccccn3)nc2c1- InChIKey
BJYONXICRMQIJO-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2S
- Average molar mass
- 270.31 g/mol
- Monoisotopic mass
- 270.04629874
Names & identifiers
- Preferred name
- 2-(2-Pyridinyl)-5-benzothiazoleacetic acid
- IUPAC
- 2-(2-pyridin-2-yl-1,3-benzothiazol-5-yl)acetic acid
- English name
- 2-(2-pyridin-2-ylbenzothiazol-5-yl)acetic acid
- Molecular formula
- C14H10N2O2S
- Molecular weight
- 270.31
Names & synonyms
49701-98-65-Benzothiazoleacetic acid, 2-pyridyl-DTXSID70197976RefChem:1060947DTXCID301204672-(2-Pyridinyl)-5-benzothiazoleacetic acidBRN 05390872-Pyridyl-5-benzothiazoleacetic acid2-(2-PYRIDIN-2-YLBENZOTHIAZOL-5-YL)ACETIC ACID[2-(PYRIDIN-2-YL)-1,3-BENZOTHIAZOL-5-YL]ACETIC ACID2-(2-Pyridyl)-5-benzothiazoleacetic acid5-Benzothiazoleacetic acid, 2-(2-pyridinyl)-
Database identifiers
- CAS
49701-98-6- PubChem CID
- 206355
- DTXSID
DTXSID70197976- Nikkaji
- J65.527I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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