Basic information
- CAS
1119447-68-5- Standard SMILES
Cc1ccc(C(=O)NCCCNC(=O)c2nc3ccccc3s2)cn1- InChIKey
ZJHZMWHMVUXRKX-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- N-(3-{[(6-methyl-3-pyridinyl)carbonyl]amino}propyl)-1,3-benzothiazole-2-carboxamide
- IUPAC
- N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-1,3-benzothiazole-2-carboxamide
- English name
- N-(3-{[(6-methyl-3-pyridinyl)carbonyl]amino}propyl)-1,3-benzothiazole-2-carboxamide
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
STK708957AKOS005531206AO-365/43474776N-(3-(6-methylnicotinamido)propyl)benzo[d]thiazole-2-carboxamideN-(3-{[(6-methyl-3-pyridinyl)carbonyl]amino}propyl)-1,3-benzothiazole-2-carboxamideN-(3-{[(6-methylpyridin-3-yl)carbonyl]amino}propyl)-1,3-benzothiazole-2-carboxamide2-Benzothiazolecarboxamide, N-[3-[[(6-methyl-3-pyridinyl)carbonyl]amino]propyl]-
Database identifiers
- CAS
1119447-68-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.46(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…