methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

C13H19N3O4S — CID 12856242

IUPACmethyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N)c(C(=O)OC)s2)CC1
InChIInChI=1S/C13H19N3O4S/c1-3-20-11(17)8-4-6-16(7-5-8)13-15-10(14)9(21-13)12(18)19-2/h8H,3-7,14H2,1-2H3
InChIKeyQAAMFCOLRBUDLX-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.29
Rot. Bonds4

About methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 12856242) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID12856242
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N)c(C(=O)OC)s2)CC1
InChIInChI=1S/C13H19N3O4S/c1-3-20-11(17)8-4-6-16(7-5-8)13-15-10(14)9(21-13)12(18)19-2/h8H,3-7,14H2,1-2H3
InChIKeyQAAMFCOLRBUDLX-UHFFFAOYSA-N
XLogP1.29
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 12856242) is methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)C1CCN(c2nc(N)c(C(=O)OC)s2)CC1.
What is the InChIKey of methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is QAAMFCOLRBUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-3-20-11(17)8-4-6-16(7-5-8)13-15-10(14)9(21-13)12(18)19-2/h8H,3-7,14H2,1-2H3.
What are the key properties of methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(4-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 12856242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).