ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate

C13H13NO3S — CID 121000290

IUPACethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(O)(c1ccccc1)c1nccs1
InChIInChI=1S/C13H13NO3S/c1-2-17-12(15)13(16,11-14-8-9-18-11)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3
InChIKeyPHHKAGCLSHTANL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate

ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate (PubChem CID 121000290) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
PubChem CID121000290
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(O)(c1ccccc1)c1nccs1
InChIInChI=1S/C13H13NO3S/c1-2-17-12(15)13(16,11-14-8-9-18-11)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3
InChIKeyPHHKAGCLSHTANL-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
2-phenyl-2-(1,3-thiazol-2-yl)propanamide
CID 67042074
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309
4-amino-3-methyl-3-(1,3-thiazol-2-yl)butanoic acid
CID 66098936
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
3-anilino-3-(1,3-thiazol-2-yl)butanamide
CID 170171365
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate (CID 121000290) is ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate is CCOC(=O)C(O)(c1ccccc1)c1nccs1.
What is the InChIKey of ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate?
The InChIKey is PHHKAGCLSHTANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-17-12(15)13(16,11-14-8-9-18-11)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate?
ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate has a molecular weight of 263.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 121000290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).