ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate

C11H16N2O4S — CID 46942156

IUPACethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O4S/c1-5-16-9(14)8-12-6-7(18-8)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
InChIKeyADGORCZRAITKCG-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.67
Rot. Bonds3

About ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate (PubChem CID 46942156) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
PubChem CID46942156
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O4S/c1-5-16-9(14)8-12-6-7(18-8)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
InChIKeyADGORCZRAITKCG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate (CID 46942156) is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The InChIKey is ADGORCZRAITKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-5-16-9(14)8-12-6-7(18-8)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15).
What are the key properties of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 46942156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).