methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate

C11H16N2O4S — CID 123301336

IUPACmethyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(n2c(O)csc2=O)CCN(C)CC1
InChIInChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h7,14H,3-6H2,1-2H3
InChIKeyIGVOVNCTBFITEF-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.21
Rot. Bonds2

About methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate

methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate (PubChem CID 123301336) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate
PubChem CID123301336
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(n2c(O)csc2=O)CCN(C)CC1
InChIInChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h7,14H,3-6H2,1-2H3
InChIKeyIGVOVNCTBFITEF-UHFFFAOYSA-N
XLogP0.21
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate (CID 123301336) is methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate is COC(=O)C1(n2c(O)csc2=O)CCN(C)CC1.
What is the InChIKey of methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate?
The InChIKey is IGVOVNCTBFITEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate?
methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 123301336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).