tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate

C15H22N2O3S — CID 126815735

IUPACtert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCC1CCCN(C(=O)c2cncs2)C1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-6-5-7-17(13(18)11-8-16-9-21-11)12(10)14(19)20-15(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyMYSFDIOAQXVNRR-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate

tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 126815735) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID126815735
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCC1CCCN(C(=O)c2cncs2)C1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-6-5-7-17(13(18)11-8-16-9-21-11)12(10)14(19)20-15(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyMYSFDIOAQXVNRR-UHFFFAOYSA-N
XLogP2.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]azepane-1-carboxylate
CID 104865992
piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 155983170
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
tert-butyl 2-(1,3-thiazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 71631448
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
CID 174554546
tert-butyl (2S)-2-[[(S)-1,3-thiazol-5-ylmethylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97173124
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
1-[(4aS,8aS)-8a-methyl-5-(1,3-thiazole-5-carbonyl)-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140196
tert-butyl (2R)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 81002522
tert-butyl (2R)-2-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167526
tert-butyl 2-[2-(1,3-thiazol-5-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244411

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate (CID 126815735) is tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate is CC1CCCN(C(=O)c2cncs2)C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is MYSFDIOAQXVNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-6-5-7-17(13(18)11-8-16-9-21-11)12(10)14(19)20-15(2,3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 126815735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).