2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Basic information
- CAS
690632-04-3- Standard SMILES
Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)O- InChIKey
DCXMMNGTUXDRND-UHFFFAOYSA-N- Molecular formula
- C13H11NO3S
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.04596439
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
- IUPAC
- 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Names & synonyms
690632-04-32-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid2-(2,3-Dihydrobenzofuran-5-yl)-4-methylthiazole-5-carboxylic acidSCHEMBL1328083DTXSID00384014SBB102429MS-22008DB-0741042-(2,3-dihydrobenzo[b]furan-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Database identifiers
- CAS
690632-04-3- PubChem CID
- 2798545
- DTXSID
DTXSID00384014
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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