JFP
- Molecular formula
- C7 H10 N2 O S
- Molecular weight (g/mol)
- 170.24
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-(4-methyl-1,3-thiazol-2-yl)propanamide
- SMILES
- CCC(=O)Nc1nc(cs1)C
- Isomeric SMILES
- CCC(=O)Nc1nc(cs1)C
- InChI
- InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)
- InChIKey
- AIOZNYOAFODHNA-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 1
- TPSA (Ų)
- 41.99
- cLogP
- 1.8
- Chiral atoms
- 0
- Molar refractivity
- 45.77
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.43
- Formal charge
- 0
Calculated properties
QED0.735
NPScore-0.652865503
SAScore6.863527052