methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate

C15H24N2O2S — CID 79833729

IUPACmethyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-16-11(10-20-14)9-17-8-6-5-7-12(17)13(18)19-4/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyCAFYIVMFJNCWBZ-GFCCVEGCSA-N
MW296.44 g/mol
LogP2.97
Rot. Bonds3

About methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate (PubChem CID 79833729) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
PubChem CID79833729
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-16-11(10-20-14)9-17-8-6-5-7-12(17)13(18)19-4/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyCAFYIVMFJNCWBZ-GFCCVEGCSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 43441270
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
CID 42926266
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
methyl 1-[N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252491
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369310
methyl (2R)-1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carboxylate
CID 79833060
methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
CID 103055321
ethyl (3S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylate
CID 81339531
methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate (CID 79833729) is methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1csc(C(C)(C)C)n1.
What is the InChIKey of methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The InChIKey is CAFYIVMFJNCWBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)14-16-11(10-20-14)9-17-8-6-5-7-12(17)13(18)19-4/h10,12H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).