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

C7H9NO3S — CID 86717830

IUPACmethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(O)c1csc(C)n1
InChIInChI=1S/C7H9NO3S/c1-4-8-5(3-12-4)6(9)7(10)11-2/h3,6,9H,1-2H3
InChIKeyNPNSIRWDFBNHNE-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.66
Rot. Bonds2

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

methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 86717830) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID86717830
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(O)c1csc(C)n1
InChIInChI=1S/C7H9NO3S/c1-4-8-5(3-12-4)6(9)7(10)11-2/h3,6,9H,1-2H3
InChIKeyNPNSIRWDFBNHNE-UHFFFAOYSA-N
XLogP0.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 86717830) is methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate is COC(=O)C(O)c1csc(C)n1.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is NPNSIRWDFBNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4-8-5(3-12-4)6(9)7(10)11-2/h3,6,9H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate?
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 86717830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).