Basic information
- CAS
438235-80-4- Standard SMILES
Cc1nc(NC(=S)NC(=O)c2ccco2)sc1C(=O)N(C)C- InChIKey
FMFVWJWZRXZWQT-UHFFFAOYSA-N- Molecular formula
- C13H14N4O3S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.05073267
Names & identifiers
- Preferred name
- 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- IUPAC
- 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- English name
- 2-{[(2-furoylamino)carbothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- Molecular formula
- C13H14N4O3S2
- Molecular weight
- 338.40526
Names & synonyms
2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide2-{[(2-furoylamino)carbothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamideOprea1_670884MLS001240167CHEMBL1408098HMS2986P11STK302247AKOS003791537SMR000673367AK-968/419241112-{[(furan-2-carbonyl)carbamothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide2-{[(furan-2-ylcarbonyl)carbamothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Show more names
438235-80-4
Database identifiers
- CAS
438235-80-4- PubChem CID
- 843725
- ChEMBL
CHEMBL1408098
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility>50.8 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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