Cas no 898258-72-5 (2-(1-piperazinyl)-5-Thiazolecarbonitrile)
898258-72-5 structure
Product Name:2-(1-piperazinyl)-5-Thiazolecarbonitrile
CAS No:898258-72-5
MF:C8H10N4S
MW:194.256799221039
CID:1120768
PubChem ID:21100257
Update Time:2025-04-20
2-(1-piperazinyl)-5-Thiazolecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-piperazinyl)-5-Thiazolecarbonitrile
- 2-piperazin-1-yl-thiazole-5-carbonitrile
- SCHEMBL2828462
- CTQIBPCXLDUYDK-UHFFFAOYSA-N
- 898258-72-5
- DB-293325
-
- Inchi： 1S/C8H10N4S/c9-5-7-6-11-8(13-7)12-3-1-10-2-4-12/h6,10H,1-4H2
- InChI Key： CTQIBPCXLDUYDK-UHFFFAOYSA-N
- SMILES： S1C(C#N)=CN=C1N1CCNCC1
Computed Properties
- Exact Mass: 194.063
- Monoisotopic Mass: 194.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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
- Topological Polar Surface Area: 80.2A^2
- XLogP3: 0.8
2-(1-piperazinyl)-5-Thiazolecarbonitrile Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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