N-{4-[2-methyl-1-(methylsulfonyl)indolin-5-yl]-1,3-thiazol-2-yl}propanamide
Basic information
- CAS
606122-01-4- Standard SMILES
CCC(=O)Nc1nc(-c2ccc3c(c2)CC(C)N3S(C)(=O)=O)cs1- InChIKey
MNDKHLHXYZJUTR-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3S2
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- N-{4-[2-methyl-1-(methylsulfonyl)indolin-5-yl]-1,3-thiazol-2-yl}propanamide
- IUPAC
- N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
- English name
- Propanamide, N-[4-[2,3-dihydro-2-methyl-1-(methylsulfonyl)-1H-indol-5-yl]-2-thiazolyl]- (9CI)
- Molecular formula
- C16H19N3O3S2
- Molecular weight
- 365.47
Names & synonyms
MLS000716488CHEMBL1299482HMS1696N21HMS2630L20AKOS000768383SMR000278005ST089943N-{4-[2-methyl-1-(methylsulfonyl)indolin-5-yl]-1,3-thiazol-2-yl}propanamideN-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamidePropanamide, N-[4-[2,3-dihydro-2-methyl-1-(methylsulfonyl)-1H-indol-5-yl]-2-thiazolyl]-Propanamide, N-[4-[2,3-dihydro-2-methyl-1-(methylsulfonyl)-1H-indol-5-yl]-2-thiazolyl]- (9CI)
Database identifiers
- CAS
606122-01-4- ChEMBL
CHEMBL1299482
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.50(Predicted)
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Compound notes
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