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

C11H16N2O4S — CID 14121864

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13-9-12-7(6-18-9)5-8(14)16-4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyOUVVYHVGBUYXIM-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.21
Rot. Bonds3

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

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 14121864) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID14121864
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13-9-12-7(6-18-9)5-8(14)16-4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyOUVVYHVGBUYXIM-UHFFFAOYSA-N
XLogP2.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate (CID 14121864) is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OUVVYHVGBUYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13-9-12-7(6-18-9)5-8(14)16-4/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 272.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 14121864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).