methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate

C6H7NO4S — CID 123755401

IUPACmethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C6H7NO4S/c1-11-5(9)2-7-4(8)3-12-6(7)10/h3,8H,2H2,1H3
InChIKeyYBVAMWLVKLWFOI-UHFFFAOYSA-N
MW189.19 g/mol
LogP-0.21
Rot. Bonds2

About methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate

methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 123755401) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID123755401
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Namemethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C6H7NO4S/c1-11-5(9)2-7-4(8)3-12-6(7)10/h3,8H,2H2,1H3
InChIKeyYBVAMWLVKLWFOI-UHFFFAOYSA-N
XLogP-0.21
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
CID 53698210
2-(4-Hydroxy-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 53900198
Methyl 2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 54237991
Ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
CID 57081367
methyl 3-formyl-2H-1,3-thiazole-2-carboxylate
CID 57290458
3-ethoxycarbonyl-2H-1,3-thiazole-2-carboxylic acid
CID 139754111
2-(2-Oxo-1,3-thiazol-3-yl)acetic acid
CID 43667924
Ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312394
Methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312396

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate (CID 123755401) is methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate is COC(=O)Cn1c(O)csc1=O.
What is the InChIKey of methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is YBVAMWLVKLWFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c1-11-5(9)2-7-4(8)3-12-6(7)10/h3,8H,2H2,1H3.
What are the key properties of methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 189.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 123755401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).