Cas no 61335-97-5 (5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester)
![5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/61500/61335-97-5x500.png)
61335-97-5 structure
Product Name:5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester
CAS No:61335-97-5
MF:C13H14N2O2S
MW:262.327461719513
CID:483510
PubChem ID:13010151
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester
- methyl 2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
- 61335-97-5
- DTXSID50514945
- AKOS019140064
-
- Inchi： 1S/C13H14N2O2S/c1-15(2)10-6-4-9(5-7-10)12-14-8-11(18-12)13(16)17-3/h4-8H,1-3H3
- InChI Key： DNMDHNYXWNXBIR-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CN=C1C1C=CC(=CC=1)N(C)C
Computed Properties
- Exact Mass: 262.07772
- Monoisotopic Mass: 262.07759887g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 291
- 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: 2.9
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- PSA: 42.43
5-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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