Cas no 89401-65-0 (4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)-)
89401-65-0 structure
Product Name:4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)-
CAS No:89401-65-0
MF:C9H7N3O2S
MW:221.235780000687
CID:602177
PubChem ID:20275326
Update Time:2025-04-19
4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)-
- 2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazole-4-carboxamide
- 2-(1-Oxo-1lambda~5~-pyridin-4-yl)-1,3-thiazole-4-carboxamide
- SCHEMBL10953767
- 89401-65-0
- DTXSID50604517
-
- Inchi： 1S/C9H7N3O2S/c10-8(13)7-5-15-9(11-7)6-1-3-12(14)4-2-6/h1-5H,(H2,10,13)
- InChI Key： FRIFSRGXUFDKLD-UHFFFAOYSA-N
- SMILES： S1C=C(C(N)=O)N=C1C1C=C[N+](=CC=1)[O-]
Computed Properties
- Exact Mass: 221.02589765g/mol
- Monoisotopic Mass: 221.02589765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: -0.2
- Topological Polar Surface Area: 110?2
4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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