Basic information
- CAS
17944-77-3- Standard SMILES
C=CCNc1nc(C)c(C(C)=O)s1- InChIKey
MGEBUCFVHUZVRV-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.06703418
Names & identifiers
- Preferred name
- 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
- IUPAC
- 1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanone
Names & synonyms
17944-77-31-[2-(allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone1-{4-methyl-2-[(prop-2-en-1-yl)amino]-1,3-thiazol-5-yl}ethan-1-one5-acetyl-4-methyl-2-(prop-2-enylamino)-1,3-thiazole1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanoneKetone, 2-(allylamino)-4-methyl-5-thiazolyl methylDTXSID40939224SBB024065STK351108AKOS005167412ST45115729EN300-230882
Show more names
1-(2-(allylamino)-4-methylthiazol-5-yl)ethan-1-oneZ488527581-[4-methyl-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl]ethanone1-{4-Methyl-2-[(prop-2-en-1-yl)imino]-2,3-dihydro-1,3-thiazol-5-yl}ethan-1-one1-{4-methyl-2-[(prop-2-en-1-yl)amino]-1,3-thiazol-5-yl}ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
17944-77-3- PubChem CID
- 167682
- DTXSID
DTXSID40939224
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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