Basic information
- CAS
75113-60-9- Standard SMILES
Cc1nc(C(=O)O)sc1CCO- InChIKey
LNYKIGXWFDMPNZ-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- 5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acid
- IUPAC
- 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
- English name
- 5-(beta-hydroxyethyl)-4-methylthiazole-2-carboxylic acid
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.22
Names & synonyms
75113-60-9Hemtca5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acidDTXSID602260822-Thiazolecarboxylic acid, 5-(2-hydroxyethyl)-4-methyl-RefChem:101754DTXCID601485735-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-carboxylic acid2-Thiazolecarboxylicacid, 5-(2-hydroxyethyl)-4-methyl-5-(2-hydroxyethyl)-4-methylthiazole-2-carboxylic acidSCHEMBL259971DA-38775
Show more names
5-(2-hydroxyethyl)-4-methyl-2-Thiazolecarboxylic acid
Database identifiers
- CAS
75113-60-9- PubChem CID
- 194655
- DTXSID
DTXSID60226082
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- InChI
- InChI=1S/C7H9NO3S/c1-4-5(2-3-9)12-6(8-4)7(10)11/h9H,2-3H2,1H3,(H,10,11)
- InChIKey
- LNYKIGXWFDMPNZ-UHFFFAOYSA-N
- SMILES
- S1C(CCO)=C(C)N=C1C(O)=O
Chemistry & industry
Applications
Uses5-(beta-hydroxyethyl)-4-methylthiazole-2-carboxylic acid (4-Methyl-5-Hydroxyethylthiazole Phosphate) is a small molecule belonging to the 4,5-disubstituted thiazole class of organic compounds. These compounds contain a substituted thiazole ring only in the 4th and 5th positions. The compound is involved in thiamine metabolism. It condenses 4-methyl-5-(beta-hydroxyethyl)thiazole monophosphate (THZ-P) and 2-methyl-4-amino-5-hydroxymethyl pyrimidine pyrophosphate (HMP-PP) to form thiamine monophosphate (TMP).
Suppliers7 total
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上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
1 records
Compound notes
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