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

C12H11NO3S — CID 70818588

IUPACmethyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO3S/c1-16-12(15)10(14)9-7-17-11(13-9)8-5-3-2-4-6-8/h2-7,10,14H,1H3
InChIKeyXZGSQTJKCWXPIZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.02
Rot. Bonds3

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

methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 70818588) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID70818588
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Namemethyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO3S/c1-16-12(15)10(14)9-7-17-11(13-9)8-5-3-2-4-6-8/h2-7,10,14H,1H3
InChIKeyXZGSQTJKCWXPIZ-UHFFFAOYSA-N
XLogP2.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140
ethyl (3S)-3-hydroxy-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanoate
CID 102139994
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 104527042
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597
methyl 3-methyl-2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]butanoate
CID 136989001
dimethyl 2,6-dimethyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 12942918

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 70818588) is methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate is COC(=O)C(O)c1csc(-c2ccccc2)n1.
What is the InChIKey of methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is XZGSQTJKCWXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-12(15)10(14)9-7-17-11(13-9)8-5-3-2-4-6-8/h2-7,10,14H,1H3.
What are the key properties of methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate?
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 249.29 g/mol, XLogP of 2.02, 3 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-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 70818588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).