5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
Basic information
- CAS
308104-99-6- Standard SMILES
Cc1ccc(Cc2cnc(N)s2)o1- InChIKey
PLGBERAULUHQJB-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.05138412
Names & identifiers
- Preferred name
- 5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
- IUPAC
- 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
- English name
- 5-[(5-methyl-2-furyl)methyl]-1,3-thiazol-2-amine(SALTDATA: FREE)
- Molecular formula
- C9H10N2OS
- Molecular weight
- 194.25
Names & synonyms
308104-99-65-((5-Methylfuran-2-yl)methyl)thiazol-2-amine5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine5-[(5-METHYL-2-FURYL)METHYL]-1,3-THIAZOL-2-AMINEEnamine_001361Oprea1_281217MLS000097995CHEMBL1339178SCHEMBL16061820DTXSID60350699HMS1397N19HMS2481O03
Show more names
2-Thiazolamine, 5-[(5-methyl-2-furanyl)methyl]-5-[(5-methyl-2-furyl)methyl]-1,3-thiazol-2-amine(SALTDATA: FREE)
HTS08438MFCD02328483STL069905AKOS002186249SMR000060644CS-0360524ST500776385-[(5-methyl-2-furyl)methyl]thiazol-2-amine
Database identifiers
- CAS
308104-99-6- PubChem CID
- 686340
- DTXSID
DTXSID60350699- ChEMBL
CHEMBL1339178
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 336 · 336.0±32.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 4.96 · 4.96±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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