methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate

C11H17NO3S — CID 70819407

IUPACmethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(OC(C)(C)C)c1csc(C)n1
InChIInChI=1S/C11H17NO3S/c1-7-12-8(6-16-7)9(10(13)14-5)15-11(2,3)4/h6,9H,1-5H3
InChIKeyYEXYTHLMNFFSIW-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate

methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 70819407) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID70819407
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)C(OC(C)(C)C)c1csc(C)n1
InChIInChI=1S/C11H17NO3S/c1-7-12-8(6-16-7)9(10(13)14-5)15-11(2,3)4/h6,9H,1-5H3
InChIKeyYEXYTHLMNFFSIW-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 70819407) is methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate is COC(=O)C(OC(C)(C)C)c1csc(C)n1.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is YEXYTHLMNFFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-12-8(6-16-7)9(10(13)14-5)15-11(2,3)4/h6,9H,1-5H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate?
methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 243.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 70819407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).