Cas no 31557-88-7 (Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)-)
31557-88-7 structure
Product Name:Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)-
CAS No:31557-88-7
MF:C7H7N3OS
MW:181.214979410172
CID:1452741
PubChem ID:693168
Update Time:2025-04-20
Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)-
- 2-cyano-N-(4-methyl-1,3-thiazol-2-yl)acetamide
- F1711-0244
- 31557-88-7
- AS-871/41429313
- Oprea1_831509
- DTXSID30351193
- 2-cyano-N-(4-methylthiazol-2-yl)acetamide
- AKOS000172232
- MFCD02323195
- SCHEMBL8283113
-
- Inchi： 1S/C7H7N3OS/c1-5-4-12-7(9-5)10-6(11)2-3-8/h4H,2H2,1H3,(H,9,10,11)
- InChI Key： KOJQVNDKPYWDDC-UHFFFAOYSA-N
- SMILES： S1C=C(C)N=C1NC(CC#N)=O
Computed Properties
- Exact Mass: 181.03111
- Monoisotopic Mass: 181.03098303g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 94?2
Experimental Properties
- PSA: 65.78
Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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