Cas no 14538-17-1 (Pentanamide,N-(5-nitro-2-thiazolyl)-)
14538-17-1 structure
Product Name:Pentanamide,N-(5-nitro-2-thiazolyl)-
CAS No:14538-17-1
MF:C8H11N3O3S
MW:229.256240129471
CID:161884
PubChem ID:324461
Update Time:2025-04-19
Pentanamide,N-(5-nitro-2-thiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanamide,N-(5-nitro-2-thiazolyl)-
- N-(5-nitro-1,3-thiazol-2-yl)pentanamide
- AC1L8AGJ
- HMS2678J20
- N-(5-Nitro-thiazol-2-yl)-valeramid
- N-(5-nitro-thiazol-2-yl)-valeramide
- NSC289932
- STK159222
- SCHEMBL1395039
- HAQCGFVINUGJBS-UHFFFAOYSA-N
- 14538-17-1
- NSC-289932
- SMR000294199
- AKOS002250962
- SR-01000276945
- CHEMBL1330029
- MLS000666381
- DTXSID40314936
- SR-01000276945-1
-
- Inchi： 1S/C8H11N3O3S/c1-2-3-4-6(12)10-8-9-5-7(15-8)11(13)14/h5H,2-4H2,1H3,(H,9,10,12)
- InChI Key： HAQCGFVINUGJBS-UHFFFAOYSA-N
- SMILES： S1C(=CN=C1NC(CCCC)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.05223
- Monoisotopic Mass: 229.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- 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: 2.7
- Topological Polar Surface Area: 116?2
Experimental Properties
- Density: 1.376
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.605
- PSA: 85.13
- LogP: 2.77620
Pentanamide,N-(5-nitro-2-thiazolyl)- Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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