tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate

C13H20N2O4S — CID 123685463

IUPACtert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(O)csc2=O)CC1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)19-11(17)14-6-4-9(5-7-14)15-10(16)8-20-12(15)18/h8-9,16H,4-7H2,1-3H3
InChIKeyYXBAQUVKCISZQD-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate (PubChem CID 123685463) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
PubChem CID123685463
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nametert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(O)csc2=O)CC1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)19-11(17)14-6-4-9(5-7-14)15-10(16)8-20-12(15)18/h8-9,16H,4-7H2,1-3H3
InChIKeyYXBAQUVKCISZQD-UHFFFAOYSA-N
XLogP2.19
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate
CID 123978538
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CID 91537808
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86982126
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate
CID 169288511
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate (CID 123685463) is tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c(O)csc2=O)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate?
The InChIKey is YXBAQUVKCISZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,3)19-11(17)14-6-4-9(5-7-14)15-10(16)8-20-12(15)18/h8-9,16H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123685463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).