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51460-47-0 | Thiophene-3-carboxamide
CAS No: 51460-47-0 Catalog No: AG003USQ MDL No:MFCD05664206
Product Description
Catalog Number:
AG003USQ
Chemical Name:
Thiophene-3-carboxamide
CAS Number:
51460-47-0
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD05664206
IUPAC Name:
thiophene-3-carboxamide
InChI:
InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChI Key:
DAUYIKBTMNZABP-UHFFFAOYSA-N
SMILES:
NC(=O)c1cscc1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.161g/mol
Monoisotopic Mass:
127.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase. | Bioorganic & medicinal chemistry 20110415 |
| Two biologically active thiophene-3-carboxamide derivatives. | Acta crystallographica. Section C, Crystal structure communications 20040901 |
| Two biologically active thiophene-3-carboxamide derivatives. | Acta crystallographica. Section C, Crystal structure communications 20031201 |
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