2,4-Dimethyl-1,3-thiazole-5-carboxamide
Basic information
- CAS
66806-33-5- Standard SMILES
Cc1nc(C)c(C(N)=O)s1- InChIKey
BEVWMRQFVUOPJT-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.03573406
Names & identifiers
- Preferred name
- 2,4-Dimethyl-1,3-thiazole-5-carboxamide
- IUPAC
- 2,4-dimethyl-1,3-thiazole-5-carboxamide
- English name
- 2,4-Dimethyl-thiazole-5-carboxylic acid amide
- Molecular formula
- C6H8N2OS
- Molecular weight
- 156.21
Names & synonyms
66806-33-52,4-dimethyl-1,3-thiazole-5-carboxamideDTXSID00284823RefChem:246537DTXCID80235974dimethyl-1,3-thiazole-5-carboxamide5-Thiazolecarboxamide,2,4-dimethyl-F0804-17332,4-Dimethyl-5-thiazolecarboxamide2,4-Dimethyl-thiazole-5-carboxylic acid amideNSC39169SCHEMBL1477812
Show more names
2,4-DIMETHYL-THIAZOLE-5-CARBOXAMIDE5-Thiazolecarboxamide, 2,4-dimethyl-
SMSSF-06131312,4-dimethyl-5-carboxamido-thiazoleNSC-39169SBB059524AKOS008967892DB-422499ST51044486
Database identifiers
- CAS
66806-33-5- PubChem CID
- 236569
- DTXSID
DTXSID00284823- Nikkaji
- J1.408.290E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 73 · 73-74 °C
- Boiling point
- 297.3 · 297.3±28.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- pka
- 14.9 · 14.90±0.50(Predicted)
Chemistry & industry
Applications
UsesDimethyl-1,3-thiazole-5-carboxamide is used to synthesize agrochemical fungicides.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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