ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate

C14H15NO3S — CID 102139996

IUPACethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C14H15NO3S/c1-2-18-13(17)8-12(16)11-9-19-14(15-11)10-6-4-3-5-7-10/h3-7,9,12,16H,2,8H2,1H3/t12-/m1/s1
InChIKeyFXDNFHHRBSEUGY-GFCCVEGCSA-N
MW277.35 g/mol
LogP2.80
Rot. Bonds5

About ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate

ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate (PubChem CID 102139996) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
PubChem CID102139996
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C14H15NO3S/c1-2-18-13(17)8-12(16)11-9-19-14(15-11)10-6-4-3-5-7-10/h3-7,9,12,16H,2,8H2,1H3/t12-/m1/s1
InChIKeyFXDNFHHRBSEUGY-GFCCVEGCSA-N
XLogP2.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-hydroxy-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanoate
CID 102139994
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
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ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
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ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
CID 99609548
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 104527042

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate (CID 102139996) is ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate is CCOC(=O)C[C@@H](O)c1csc(-c2ccccc2)n1.
What is the InChIKey of ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate?
The InChIKey is FXDNFHHRBSEUGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-18-13(17)8-12(16)11-9-19-14(15-11)10-6-4-3-5-7-10/h3-7,9,12,16H,2,8H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate?
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate has a molecular weight of 277.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 102139996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).