[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate

C12H18N2O4S — CID 57185858

IUPAC[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CN(C=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-9(16)17-7-10-5-13-11(19-10)6-14(8-15)18-12(2,3)4/h5,8H,6-7H2,1-4H3
InChIKeyFFAAWGQVQUZOKM-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.89
Rot. Bonds6

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

[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate (PubChem CID 57185858) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate
PubChem CID57185858
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CN(C=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-9(16)17-7-10-5-13-11(19-10)6-14(8-15)18-12(2,3)4/h5,8H,6-7H2,1-4H3
InChIKeyFFAAWGQVQUZOKM-UHFFFAOYSA-N
XLogP1.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The IUPAC name of [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate (CID 57185858) is [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate.
What is the SMILES notation for [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The canonical SMILES for [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate is CC(=O)OCc1cnc(CN(C=O)OC(C)(C)C)s1.
What is the InChIKey of [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate?
The InChIKey is FFAAWGQVQUZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(16)17-7-10-5-13-11(19-10)6-14(8-15)18-12(2,3)4/h5,8H,6-7H2,1-4H3.
What are the key properties of [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate?
[2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate has a molecular weight of 286.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate is sourced from PubChem (CID 57185858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).