methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate

C6H7NO3S — CID 130871556

IUPACmethyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate
SMILESCOC(=O)C(O)c1ccns1
InChIInChI=1S/C6H7NO3S/c1-10-6(9)5(8)4-2-3-7-11-4/h2-3,5,8H,1H3
InChIKeyPGFPCMWKEPETNY-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.35
Rot. Bonds2

About methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate

methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate (PubChem CID 130871556) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate
PubChem CID130871556
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namemethyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate
SMILESCOC(=O)C(O)c1ccns1
InChIInChI=1S/C6H7NO3S/c1-10-6(9)5(8)4-2-3-7-11-4/h2-3,5,8H,1H3
InChIKeyPGFPCMWKEPETNY-UHFFFAOYSA-N
XLogP0.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-2-(1,2-thiazol-5-yl)acetic acid
CID 82415692
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
CID 21271229
3-Hydroxy-3-(1,2-thiazol-5-yl)propanoic acid
CID 165507614
2-Hydroxy-3-(1,2-thiazol-5-yl)propanoic acid
CID 165746001

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate (CID 130871556) is methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate is COC(=O)C(O)c1ccns1.
What is the InChIKey of methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate?
The InChIKey is PGFPCMWKEPETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-6(9)5(8)4-2-3-7-11-4/h2-3,5,8H,1H3.
What are the key properties of methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate?
methyl 2-hydroxy-2-(1,2-thiazol-5-yl)acetate has a molecular weight of 173.19 g/mol, XLogP of 0.35, 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-(1,2-thiazol-5-yl)acetate is sourced from PubChem (CID 130871556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).