ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

C17H27N3O4S — CID 59610048

IUPACethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-23-14(21)12-6-8-20(9-7-12)11-13-10-18-15(25-13)19-16(22)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,18,19,22)
InChIKeyFAYAWGJFULKKFU-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.27
Rot. Bonds5

About ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 59610048) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID59610048
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Nameethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-23-14(21)12-6-8-20(9-7-12)11-13-10-18-15(25-13)19-16(22)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,18,19,22)
InChIKeyFAYAWGJFULKKFU-UHFFFAOYSA-N
XLogP3.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 59610048) is ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1.
What is the InChIKey of ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is FAYAWGJFULKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-23-14(21)12-6-8-20(9-7-12)11-13-10-18-15(25-13)19-16(22)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,18,19,22).
What are the key properties of ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 59610048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).