Basic information
- CAS
708210-05-3- Standard SMILES
O=C(Nc1nnc(C2CC2)s1)c1cccs1- InChIKey
BMAIIQDWWIVNCL-UHFFFAOYSA-N- Molecular formula
- C10H9N3OS2
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.01870427
Names & identifiers
- Preferred name
- N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
- IUPAC
- N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
- English name
- 2-Thiophenecarboxamide,N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-(9CI)
- Molecular formula
- C10H9N3OS2
- Molecular weight
- 251.33
Names & synonyms
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide708210-05-3MLS001035668CHEMBL1567836DTXSID901330528HMS2968F21STK461894AKOS001119217SMR000669124CS-0290153ST50938857Z27167271
Show more names
2-Thiophenecarboxamide, N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-Thiophenecarboxamide,N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-(9CI)
N-(5-cyclopropyl(1,3,4-thiadiazol-2-yl))-2-thienylcarboxamide
Database identifiers
- CAS
708210-05-3- PubChem CID
- 736016
- DTXSID
DTXSID901330528- ChEMBL
CHEMBL1567836
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
Solubility31.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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