Piperazine, 1-[2-(2-thiazolyl)ethyl]-
- Iupac Name：2-(2-piperazin-1-ylethyl)-1,3-thiazole
- CAS No.: 381721-59-1
- Molecular Weight：197.3
- Modify Date.: 2023-05-07 04:56
1. Names and Identifiers
- 1.1 Name
- Piperazine, 1-[2-(2-thiazolyl)ethyl]-
- 1.2 CAS No.
- 381721-59-1
- 1.3 CID
- 22321605
- 1.4 Molecular Formula
- C9H15N3S (isomer)
- 1.5 Inchi
- InChI=1S/C9H15N3S/c1(9-11-4-8-13-9)5-12-6-2-10-3-7-12/h4,8,10H,1-3,5-7H2
- 1.6 InChIkey
- WHJCLPKGKRJGLQ-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- C(CC1=NC=CS1)N1CCNCC1
- 1.8 Isomers Smiles
- C1CN(CCN1)CCC2=NC=CS2
2. Computational chemical data
- Molecular Weight: 197.3g/mol
- Molecular Formula: C9H15N3S
- Compound Is Canonicalized: True
- XLogP3-AA: 0.6
- Exact Mass: 197.09866866
- Monoisotopic Mass: 197.09866866
- Complexity: 148
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 56.4
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAQQAAAACADFQgSsgRPIEAikABAnRAAA8KBRCjhIQIw4IAAAQAAgQAAUAAAAEACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
![Piperazine, 1-[4-(4-fluorophenyl)-2-thiazolyl]-](https://structimg.guidechem.com/10/46/978105.png)
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![Piperazine, 1-[2-(2-thiazolyl)ethyl]- structure](http://structimg.guidechem.com/10/22/17003901.png)
