2-(Cyclopropyl-thiazol-5-ylmethyl-amino)-ethanol
Basic information
- CAS
1353980-09-2- Standard SMILES
OCCN(Cc1cncs1)C1CC1- InChIKey
HIIHIUZMPMORMC-UHFFFAOYSA-N- Molecular formula
- C9H14N2OS
- Average molar mass
- 198.29 g/mol
- Monoisotopic mass
- 198.08268425
Names & identifiers
- Preferred name
- 2-(Cyclopropyl-thiazol-5-ylmethyl-amino)-ethanol
- IUPAC
- 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]ethanol
- English name
- 2-(Cyclopropyl-thiazol-5-ylMethyl-aMino)-ethanol
- Molecular formula
- C9H14N2OS
- Molecular weight
- 198.29
Names & synonyms
2-(Cyclopropyl-thiazol-5-ylmethyl-amino)-ethanol1353980-09-22-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]ethanolDTXSID701233760DB-2390542-[cyclopropyl(thiazol-5-ylmethyl)amino]ethanolEthanol, 2-[cyclopropyl(5-thiazolylmethyl)amino]-2-{Cyclopropyl[(1,3-thiazol-5-yl)methyl]amino}ethan-1-ol
Database identifiers
- CAS
1353980-09-2- PubChem CID
- 66568680
- DTXSID
DTXSID701233760
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 344.308 · 344.308±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.258 · 1.258±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.704 · 14.704±0.10(predicted)
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Compound notes
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