Cas no 606117-67-3 (4-Thiazolecarboxamide,2-(acetylamino)-N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-(9CI))
606117-67-3 structure
Product Name:4-Thiazolecarboxamide,2-(acetylamino)-N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-(9CI)
CAS No:606117-67-3
MF:C13H12N4O3S2
MW:336.389379501343
CID:952899
PubChem ID:3224918
Update Time:2025-04-19
4-Thiazolecarboxamide,2-(acetylamino)-N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 4-Thiazolecarboxamide,2-(acetylamino)-N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-(9CI)
- 2-Acetamido-N-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1, 3-thiazole-4-carboxamide
- 4-THIAZOLECARBOXAMIDE, 2-(ACETYLAMINO)-N-(4,5,6,7-TETRAHYDRO-7-OXO-2-BENZOTHIAZOLYL)-
- 4-thiazolecarboxamide,2-(acetylamino)-n-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-
- DB-284020
- 606117-67-3
- SR-01000330069-1
- SR-01000330069
-
- Inchi： 1S/C13H12N4O3S2/c1-6(18)14-12-16-8(5-21-12)11(20)17-13-15-7-3-2-4-9(19)10(7)22-13/h5H,2-4H2,1H3,(H,14,16,18)(H,15,17,20)
- InChI Key： VEHPZNVBSDFJLC-UHFFFAOYSA-N
- SMILES： S1C(NC(C2=CSC(NC(C)=O)=N2)=O)=NC2=C1C(CCC2)=O
Computed Properties
- Exact Mass: 336.035
- Monoisotopic Mass: 336.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 490
- 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: 1.5
- Topological Polar Surface Area: 158?2
4-Thiazolecarboxamide,2-(acetylamino)-N-(4,5,6,7-tetrahydro-7-oxo-2-benzothiazolyl)-(9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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