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

C14H15NO2S — CID 55327909

IUPAC(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1cccc(COC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C14H15NO2S/c1-10-4-3-5-12(6-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyARPCJJWXTVJHAC-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.05
Rot. Bonds4

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

(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55327909) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID55327909
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1cccc(COC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C14H15NO2S/c1-10-4-3-5-12(6-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyARPCJJWXTVJHAC-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413
[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
CID 161422246
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 55459201
1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
benzyl 2-[[(E)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]acetate
CID 26053102
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
CID 75134438
(4-chloro-3,5-dimethylphenyl) 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55779468
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55327909) is (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1cccc(COC(=O)Cc2csc(C)n2)c1.
What is the InChIKey of (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is ARPCJJWXTVJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-4-3-5-12(6-10)8-17-14(16)7-13-9-18-11(2)15-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 261.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55327909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).