N-(2-(methylthio)benzo[d]thiazol-6-yl)thiophene-2-carboxamide
Basic information
- CAS
302939-09-9- Standard SMILES
CSc1nc2ccc(NC(=O)c3cccs3)cc2s1- InChIKey
WRDHQYNLGUGZHU-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 305.99552647
Names & identifiers
- Preferred name
- N-(2-(methylthio)benzo[d]thiazol-6-yl)thiophene-2-carboxamide
- IUPAC
- N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Names & synonyms
302939-09-9N-(2-(methylthio)benzo[d]thiazol-6-yl)thiophene-2-carboxamideN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamideN-[2-(methylthio)-1,3-benzothiazol-6-yl]thiophene-2-carboxamideCBMicro_039017MLS002247890SCHEMBL3503703CHEMBL1718548DTXSID101329925HMS3082P06CCG-48680AKOS001035512
Show more names
SMR001315375BIM-0038746.P001AE-641/14179171SR-01000638201-1Z28341097F1620-0067N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-2-thiophenecarboxamiden-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide
Database identifiers
- CAS
302939-09-9- PubChem CID
- 726754
- DTXSID
DTXSID101329925- ChEMBL
CHEMBL1718548
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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