4-(3-Bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
Basic information
- CAS
189011-00-5- Standard SMILES
COc1ccc(-c2csc(N)n2)cc1Br- InChIKey
VWSACNUWIZRJGM-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2OS
- Average molar mass
- 285.16 g/mol
- Monoisotopic mass
- 283.9619
Names & identifiers
- Preferred name
- 4-(3-Bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
- IUPAC
- 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
- English name
- 4-(3-Bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
- Molecular formula
- C10H9BrN2OS
- Molecular weight
- 285.16
Names & synonyms
189011-00-54-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amineDTXSID10353630RefChem:287558DTXCID203046934-(3-Bromo-4-methoxyphenyl)thiazol-2-amineMFCD015398932-Thiazolamine, 4-(3-bromo-4-methoxyphenyl)-Cambridge id 5846891Oprea1_210852Oprea1_6816924-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-ylamine
Show more names
CHEMBRDG-BB 58468914-(3-BROMO-4-METHOXY-PHENYL)-THIAZOL-2-YLAMINE
SCHEMBL31479914-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-imineHMS5170I21PHA01100STK164088STK845945AKOS000294654AKOS005626292
Database identifiers
- CAS
189011-00-5- PubChem CID
- 746809
- DTXSID
DTXSID10353630
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 424.8 · 424.8±35.0 °C(Predicted)
- Density
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.10(Predicted)
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Compound notes
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