Cas no 89401-52-5 (5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester)
89401-52-5 structure
Product Name:5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester
CAS No:89401-52-5
MF:C10H8N2O2S
MW:220.247720718384
CID:602190
PubChem ID:13565886
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester
- methyl 2-(pyridin-4-yl)thiazole-5-carboxylate
- methyl 2-pyridin-4-yl-1,3-thiazole-5-carboxylate
- Methyl 2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
- SCHEMBL10853403
- 89401-52-5
- DTXSID40543966
- FT-0768580
- AKOS017528250
-
- Inchi： 1S/C10H8N2O2S/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7/h2-6H,1H3
- InChI Key： QOAVQZDTMGQNMR-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CN=C1C1C=CN=CC=1
Computed Properties
- Exact Mass: 220.03064868g/mol
- Monoisotopic Mass: 220.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 232
- 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: 1.7
- Topological Polar Surface Area: 80.3?2
5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
89401-52-5 (5-Thiazolecarboxylic acid, 2-(4-pyridinyl)-, methyl ester) Related Products
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