Cas no 600707-16-2 (5-Thiazolecarboxylicacid,4-ethyl-2-(ethylamino)-(9CI))
600707-16-2 structure
Product Name:5-Thiazolecarboxylicacid,4-ethyl-2-(ethylamino)-(9CI)
CAS No:600707-16-2
MF:C8H12N2O2S
MW:200.258080482483
CID:1021784
PubChem ID:22411067
Update Time:2025-04-20
5-Thiazolecarboxylicacid,4-ethyl-2-(ethylamino)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid,4-ethyl-2-(ethylamino)-(9CI)
- 4-Ethyl-2-(ethylamino)thiazole-5-carboxylic acid
- SCHEMBL8552123
- 600707-16-2
-
- Inchi： 1S/C8H12N2O2S/c1-3-5-6(7(11)12)13-8(10-5)9-4-2/h3-4H2,1-2H3,(H,9,10)(H,11,12)
- InChI Key： RRNVFZWMUSXOCV-UHFFFAOYSA-N
- SMILES： S1C(=NC(=C1C(=O)O)CC)NCC
Computed Properties
- Exact Mass: 200.06206
- Monoisotopic Mass: 200.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 189
- 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: 2.3
- Topological Polar Surface Area: 90.5?2
Experimental Properties
- PSA: 62.22
5-Thiazolecarboxylicacid,4-ethyl-2-(ethylamino)-(9CI) Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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