Cas no 54045-77-1 (5-Thiazolecarboxamide, 2-bromo-N-(5-methylhexyl)-)
54045-77-1 structure
Product Name:5-Thiazolecarboxamide, 2-bromo-N-(5-methylhexyl)-
CAS No:54045-77-1
MF:C11H17BrN2OS
MW:305.234480619431
CID:355690
PubChem ID:20328456
Update Time:2025-04-19
5-Thiazolecarboxamide, 2-bromo-N-(5-methylhexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxamide, 2-bromo-N-(5-methylhexyl)-
- 2-bromo-N-(5-methylhexyl)-1,3-thiazole-5-carboxamide
- SCHEMBL11648634
- 54045-77-1
- DTXSID20605511
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- Inchi: 1S/C11H17BrN2OS/c1-8(2)5-3-4-6-13-10(15)9-7-14-11(12)16-9/h7-8H,3-6H2,1-2H3,(H,13,15)
- InChI Key: YMFNCCZQFGYTFX-UHFFFAOYSA-N
- SMILES: BrC1=NC=C(C(NCCCCC(C)C)=O)S1
Computed Properties
- Exact Mass: 304.02461
- Monoisotopic Mass: 304.02450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 226
- 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: 4.2
- Topological Polar Surface Area: 70.2?2
Experimental Properties
- PSA: 41.99
5-Thiazolecarboxamide, 2-bromo-N-(5-methylhexyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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