[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate

C15H15NO2S — CID 174624911

IUPAC[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)cc1
InChIInChI=1S/C15H15NO2S/c1-9-3-5-11(6-4-9)13-14(18-10(2)17)16-15(19-13)12-7-8-12/h3-6,12H,7-8H2,1-2H3
InChIKeyMAGDKCOQPSIJMP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.92
Rot. Bonds3

About [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate

[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate (PubChem CID 174624911) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate
PubChem CID174624911
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)cc1
InChIInChI=1S/C15H15NO2S/c1-9-3-5-11(6-4-9)13-14(18-10(2)17)16-15(19-13)12-7-8-12/h3-6,12H,7-8H2,1-2H3
InChIKeyMAGDKCOQPSIJMP-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The IUPAC name of [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate (CID 174624911) is [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate is CC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)cc1.
What is the InChIKey of [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The InChIKey is MAGDKCOQPSIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-3-5-11(6-4-9)13-14(18-10(2)17)16-15(19-13)12-7-8-12/h3-6,12H,7-8H2,1-2H3.
What are the key properties of [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate?
[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate has a molecular weight of 273.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 174624911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).