[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate

C12H18N2O4S — CID 19605151

IUPAC[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-8(15)17-7-9-5-13-10(19-9)6-14-11(16)18-12(2,3)4/h5H,6-7H2,1-4H3,(H,14,16)
InChIKeyUMDYXQZFJUUCKD-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.23
Rot. Bonds4

About [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate

[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate (PubChem CID 19605151) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate
PubChem CID19605151
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-8(15)17-7-9-5-13-10(19-9)6-14-11(16)18-12(2,3)4/h5H,6-7H2,1-4H3,(H,14,16)
InChIKeyUMDYXQZFJUUCKD-UHFFFAOYSA-N
XLogP2.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The IUPAC name of [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate (CID 19605151) is [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate.
What is the SMILES notation for [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The canonical SMILES for [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate is CC(=O)OCc1cnc(CNC(=O)OC(C)(C)C)s1.
What is the InChIKey of [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The InChIKey is UMDYXQZFJUUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(15)17-7-9-5-13-10(19-9)6-14-11(16)18-12(2,3)4/h5H,6-7H2,1-4H3,(H,14,16).
What are the key properties of [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate?
[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate has a molecular weight of 286.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-5-yl]methyl acetate is sourced from PubChem (CID 19605151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).