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

C14H15NO2S — CID 174634013

IUPAC[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C)sc1-c1ccc(C)cc1C
InChIInChI=1S/C14H15NO2S/c1-8-5-6-12(9(2)7-8)13-14(17-11(4)16)15-10(3)18-13/h5-7H,1-4H3
InChIKeyIZJNJMYXQVHQAU-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.66
Rot. Bonds2

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

[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate (PubChem CID 174634013) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate
PubChem CID174634013
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C)sc1-c1ccc(C)cc1C
InChIInChI=1S/C14H15NO2S/c1-8-5-6-12(9(2)7-8)13-14(17-11(4)16)15-10(3)18-13/h5-7H,1-4H3
InChIKeyIZJNJMYXQVHQAU-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate?
The IUPAC name of [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate (CID 174634013) is [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate is CC(=O)Oc1nc(C)sc1-c1ccc(C)cc1C.
What is the InChIKey of [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate?
The InChIKey is IZJNJMYXQVHQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-5-6-12(9(2)7-8)13-14(17-11(4)16)15-10(3)18-13/h5-7H,1-4H3.
What are the key properties of [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate?
[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate has a molecular weight of 261.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 174634013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).