Cas no 199991-61-2 ((2-Amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid)
199991-61-2 structure
Product Name:(2-Amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid
CAS No:199991-61-2
MF:C5H6N2O3S
MW:174.177739620209
CID:908820
PubChem ID:250957
Update Time:2025-04-19
(2-Amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- (2-Amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid
- 2-AMINO-4-HYDROXY-5-THIAZOLEACETIC ACID
- 2-(2-amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid
- 2-(4-hydroxy-2-imino-2,3-dihydrothiazol-5-yl)acetic acid
- NSC-163336
- NSC163336
- SCHEMBL15740329
- DTXSID20290769
- AKOS001661529
- F0918-4362
- MLS000736779
- (4-hydroxy-2-imino-2,3-dihydro-1,3-thiazol-5-yl)acetic acid
- Oprea1_679152
- HMS1372I20
- CHEMBL1447850
- NCIOpen2_000448
- STL302045
- AKOS006345750
- SMR000528323
- NSC-70980
- 199991-61-2
- 2-(2-amino-4-hydroxythiazol-5-yl)acetic acid
- 5-thiazoleacetic acid, 2-amino-4-hydroxy-
- MFCD02323266
- STL453402
- ChemDiv2_001252
- NSC70980
-
- Inchi： 1S/C5H6N2O3S/c6-5-7-4(10)2(11-5)1-3(8)9/h10H,1H2,(H2,6,7)(H,8,9)
- InChI Key： YMUQFCODCOKKEL-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1CC(=O)O)O
Computed Properties
- Exact Mass: 174.00998
- Monoisotopic Mass: 174.00991323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 166
- 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: 0.1
- Topological Polar Surface Area: 125?2
Experimental Properties
- PSA: 96.44
(2-Amino-4-hydroxy-1,3-thiazol-5-yl)acetic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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