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

C12H18N2O4S — CID 19605125

IUPACethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-5-17-10(15)8-6-13-9(19-8)7-14-11(16)18-12(2,3)4/h6H,5,7H2,1-4H3,(H,14,16)
InChIKeyGCVRZRPTLDLTSQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.34
Rot. Bonds4

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

ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate (PubChem CID 19605125) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate
PubChem CID19605125
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H18N2O4S/c1-5-17-10(15)8-6-13-9(19-8)7-14-11(16)18-12(2,3)4/h6H,5,7H2,1-4H3,(H,14,16)
InChIKeyGCVRZRPTLDLTSQ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate (CID 19605125) is ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1.
What is the InChIKey of ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate?
The InChIKey is GCVRZRPTLDLTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-5-17-10(15)8-6-13-9(19-8)7-14-11(16)18-12(2,3)4/h6H,5,7H2,1-4H3,(H,14,16).
What are the key properties of ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 19605125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).