methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate

C13H13NO2S — CID 168910064

IUPACmethyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H13NO2S/c1-9-13(17-8-14-9)11-5-3-10(4-6-11)7-12(15)16-2/h3-6,8H,7H2,1-2H3
InChIKeyCRNHUJXWOLREMH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.83
Rot. Bonds3

About methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate

methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate (PubChem CID 168910064) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
PubChem CID168910064
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namemethyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H13NO2S/c1-9-13(17-8-14-9)11-5-3-10(4-6-11)7-12(15)16-2/h3-6,8H,7H2,1-2H3
InChIKeyCRNHUJXWOLREMH-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate
CID 166360166
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
1-[(3R)-3-methylcyclopentyl]-3-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]but-3-en-1-one
CID 174007762
4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
CID 123660320
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate (CID 168910064) is methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate is COC(=O)Cc1ccc(-c2scnc2C)cc1.
What is the InChIKey of methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The InChIKey is CRNHUJXWOLREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-13(17-8-14-9)11-5-3-10(4-6-11)7-12(15)16-2/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate has a molecular weight of 247.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate is sourced from PubChem (CID 168910064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).