Cas no 906099-51-2 (2-(Dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid)
906099-51-2 structure
Product Name:2-(Dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CAS No:906099-51-2
MF:C12H12N2O2S
MW:248.300881385803
CID:2139893
Update Time:2023-08-04
2-(Dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
- 2-(Dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
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- Inchi： 1S/C12H12N2O2S/c1-14(2)12-13-9(10(17-12)11(15)16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16)
- InChI Key： KNWKVXLYFNALMS-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(C2C=CC=CC=2)N=C1N(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 280
- Topological Polar Surface Area: 81.7
2-(Dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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