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

C19H17NO3S — CID 8928456

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1csc(-c2ccc(OC(=O)COc3ccccc3C)cc2)n1
InChIInChI=1S/C19H17NO3S/c1-13-5-3-4-6-17(13)22-11-18(21)23-16-9-7-15(8-10-16)19-20-14(2)12-24-19/h3-10,12H,11H2,1-2H3
InChIKeyNCJLVPYBYDZDJF-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.41
Rot. Bonds5

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

[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate (PubChem CID 8928456) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate
PubChem CID8928456
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1csc(-c2ccc(OC(=O)COc3ccccc3C)cc2)n1
InChIInChI=1S/C19H17NO3S/c1-13-5-3-4-6-17(13)22-11-18(21)23-16-9-7-15(8-10-16)19-20-14(2)12-24-19/h3-10,12H,11H2,1-2H3
InChIKeyNCJLVPYBYDZDJF-UHFFFAOYSA-N
XLogP4.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
2-ethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77101797
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123727
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate (CID 8928456) is [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate is Cc1csc(-c2ccc(OC(=O)COc3ccccc3C)cc2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate?
The InChIKey is NCJLVPYBYDZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-5-3-4-6-17(13)22-11-18(21)23-16-9-7-15(8-10-16)19-20-14(2)12-24-19/h3-10,12H,11H2,1-2H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate?
[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate has a molecular weight of 339.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 8928456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).