Cas no 745077-98-9 (5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]-)
![5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]- structure](https://ossimg.kuujia.com/scimg/745500/745077-98-9x500.png)
745077-98-9 structure
Product Name:5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]-
CAS No:745077-98-9
MF:C8H12N2O2S
MW:200.258080482483
CID:560694
PubChem ID:45089525
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]-
- 5-Thiazolecarboxylicacid,2-[[(1S)-1-methylpropyl]amino]-(9CI)
- 2-[[(2S)-butan-2-yl]amino]-1,3-thiazole-5-carboxylic acid
- SCHEMBL14313604
- 2-{[(2S)-Butan-2-yl]amino}-1,3-thiazole-5-carboxylic acid
- DTXSID20666485
- 745077-98-9
-
- Inchi： 1S/C8H12N2O2S/c1-3-5(2)10-8-9-4-6(13-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1
- InChI Key： MFOLIAOJCSDWNO-YFKPBYRVSA-N
- SMILES： S1C(C(=O)O)=CN=C1N[C@@H](C)CC
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: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 90.5?2
Experimental Properties
- PSA: 62.22
5-Thiazolecarboxylicacid, 2-[[(1S)-1-methylpropyl]amino]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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