1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
Basic information
- CAS
956361-13-0- Standard SMILES
Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Br)cc2)cs1- InChIKey
UUIKFXRFLUACPU-UHFFFAOYSA-N- Molecular formula
- C16H11BrN4S2
- Average molar mass
- 403.3 g/mol
Names & identifiers
- Preferred name
- 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
- IUPAC
- 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
- English name
- 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
- Molecular formula
- C16H11BrN4S2
- Molecular weight
- 403.32
Names & synonyms
956361-13-01-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-3-amine1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(thiophen-2-yl)-1H-pyrazol-5-amineAKOS0050894373T-08521-(4-(4-Bromophenyl)thiazol-2-yl)-4-(thiophen-2-yl)-1H-pyrazol-5-amine1H-Pyrazol-5-amine, 1-[4-(4-bromophenyl)-2-thiazolyl]-4-(2-thienyl)-1-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-4-(2-THIENYL)-1H-PYRAZOL-5-YLAMINE
Database identifiers
- CAS
956361-13-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 614.7 · 614.7±65.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- -0.74 · -0.74±0.10(Predicted)
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