4H-1-Benzopyran-4-one, 3-(2-amino-4-thiazolyl)-2-methyl-
Basic information
- CAS
104819-35-4- Standard SMILES
Cc1oc2ccccc2c(=O)c1-c1csc(N)n1- InChIKey
JPZBTZITNDQIMR-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629874
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-(2-amino-4-thiazolyl)-2-methyl-
- IUPAC
- 3-(2-amino-1,3-thiazol-4-yl)-2-methylchromen-4-one
Names & synonyms
BRN 55596984H-1-BENZOPYRAN-4-ONE, 3-(2-AMINO-4-THIAZOLYL)-2-METHYL-Chromone, 3-(2-aminothiazol-4-yl)-2-methyl-104819-35-43-(2-Amino-4-thiazolyl)-2-methyl-4H-1-benzopyran-4-oneDTXSID10146761RefChem:297291DTXCID00692523-(2-Amino-1,3-thiazol-4-yl)-2-methyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
104819-35-4- PubChem CID
- 59897
- DTXSID
DTXSID10146761
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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