Cas no 58887-22-2 (4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]-)
![4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]- structure](https://ossimg.kuujia.com/scimg/59000/58887-22-2x500.png)
58887-22-2 structure
Product Name:4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]-
CAS No:58887-22-2
MF:C16H18N4OS
MW:314.405321598053
CID:340525
Update Time:2024-03-01
4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]-
- 4-Thiazolecarboxamide, 2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]-
- TM-64
- TM 64
-
- Inchi： 1S/C16H18N4OS/c1-10(17)16-20-14(9-22-16)15(21)18-7-6-11-8-19-13-5-3-2-4-12(11)13/h2-5,8-10,19H,6-7,17H2,1H3,(H,18,21)/t10-/m0/s1
- InChI Key： XWYCGSFRLLWGTP-JTQLQIEISA-N
- SMILES： S1C=C(C(NCCC2C3=C(NC=2)C=CC=C3)=O)N=C1[C@@H](N)C
Computed Properties
- Exact Mass: 314.12034
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- XLogP3: 0.828
Experimental Properties
- Density: 1.313±0.06 g/cm3(Predicted)
- Melting Point: 120-122 °C(Solv: benzene (71-43-2))
- Boiling Point: 611.6±50.0 °C(Predicted)
- PSA: 83.8
- pka: 14.06±0.46(Predicted)
4-Thiazolecarboxamide,2-[(1S)-1-aminoethyl]-N-[2-(1H-indol-3-yl)ethyl]- Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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