Cas no 42458-68-4 (Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-)
42458-68-4 structure
Product Name:Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
CAS No:42458-68-4
MF:C5H3BrF3N3OS
MW:290.061028718948
CID:2721309
PubChem ID:148449
Update Time:2025-04-21
Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
- DTXSID10195234
- DTXCID20117725
- 42458-68-4
- QZJANWLGIWMKMO-UHFFFAOYSA-N
- CHEMBL2268672
- 2-Bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide
- SCHEMBL8350034
- Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
-
- Inchi： 1S/C5H3BrF3N3OS/c6-1-2(13)10-4-12-11-3(14-4)5(7,8)9/h1H2,(H,10,12,13)
- InChI Key： QZJANWLGIWMKMO-UHFFFAOYSA-N
- SMILES： BrCC(NC1=NN=C(C(F)(F)F)S1)=O
Computed Properties
- Exact Mass: 288.91323Da
- Monoisotopic Mass: 288.91323Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 227
- 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: 1.6
- Topological Polar Surface Area: 83.1?2
Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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