4(5H)-Thiazolone, 2-amino-5-(1H-indol-3-ylmethyl)-
Basic information
- CAS
61492-51-1- Standard SMILES
NC1=NC(=O)C(Cc2c[nH]c3ccccc23)S1- InChIKey
NSVOZCAFYSKQGF-UHFFFAOYSA-N- Molecular formula
- C12H11N3OS
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.06228316
Names & identifiers
- Preferred name
- 4(5H)-Thiazolone, 2-amino-5-(1H-indol-3-ylmethyl)-
- IUPAC
- 2-amino-5-(1H-indol-3-ylmethyl)-1,3-thiazol-4-one
Names & synonyms
4(5H)-Thiazolone, 2-amino-5-(1H-indol-3-ylmethyl)-DTXSID103336592-amino-5-(1H-indol-3-ylmethyl)thiazol-4-one2-Amino-5-[(1H-indol-3-yl)methyl]-1,3-thiazol-4(5H)-one
Database identifiers
- CAS
61492-51-1- PubChem CID
- 516376
- DTXSID
DTXSID10333659
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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