Cas no 649736-94-7 (5-Thiazolecarboxylic acid, 2-amino-4-(2,2-dimethylpropyl)-, ethyl ester)
649736-94-7 structure
Product Name:5-Thiazolecarboxylic acid, 2-amino-4-(2,2-dimethylpropyl)-, ethyl ester
CAS No:649736-94-7
MF:C11H18N2O2S
MW:242.337821483612
CID:410358
PubChem ID:71377706
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-amino-4-(2,2-dimethylpropyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-amino-4-(2,2-dimethylpropyl)-, ethyl ester
- ethyl 2-amino-4-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxylate
- 649736-94-7
- SCHEMBL3098533
- DTXSID70800337
-
- Inchi： 1S/C11H18N2O2S/c1-5-15-9(14)8-7(6-11(2,3)4)13-10(12)16-8/h5-6H2,1-4H3,(H2,12,13)
- InChI Key： AOZLPMPSXWQSFQ-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1C(=O)OCC)CC(C)(C)C
Computed Properties
- Exact Mass: 242.10904
- Monoisotopic Mass: 242.10889899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 253
- 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: 3.2
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 65.21
5-Thiazolecarboxylic acid, 2-amino-4-(2,2-dimethylpropyl)-, ethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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