ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate

C13H15NO3S — CID 155807106

IUPACethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)CC1CSC(c2ccccc2O)=N1
InChIInChI=1S/C13H15NO3S/c1-2-17-12(16)7-9-8-18-13(14-9)10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8H2,1H3
InChIKeyJYPPBGKCSKCKFD-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate (PubChem CID 155807106) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
PubChem CID155807106
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Nameethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)CC1CSC(c2ccccc2O)=N1
InChIInChI=1S/C13H15NO3S/c1-2-17-12(16)7-9-8-18-13(14-9)10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8H2,1H3
InChIKeyJYPPBGKCSKCKFD-UHFFFAOYSA-N
XLogP2.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde
CID 137181236
[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 141363838
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 143766962
ethyl 2-[5-(2-phenylethyl)-3,4-dihydro-2H-pyrrol-2-yl]acetate
CID 15877077
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethane;(2S)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 145161212
ethyl 2-[3-(methoxymethylidene)-1,2-dihydroinden-2-yl]acetate
CID 70178645
methyl 2-[(4R)-2-(7-phenoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 59542938

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate (CID 155807106) is ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate is CCOC(=O)CC1CSC(c2ccccc2O)=N1.
What is the InChIKey of ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The InChIKey is JYPPBGKCSKCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-17-12(16)7-9-8-18-13(14-9)10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate has a molecular weight of 265.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 155807106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).