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

C14H22N2O2S — CID 162412080

IUPACtert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H22N2O2S/c1-10-9-19-12(15-10)11-6-5-7-16(8-11)13(17)18-14(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyLKGMIFCVVCUYMZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.57
Rot. Bonds1

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

tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 162412080) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID162412080
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nametert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H22N2O2S/c1-10-9-19-12(15-10)11-6-5-7-16(8-11)13(17)18-14(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyLKGMIFCVVCUYMZ-UHFFFAOYSA-N
XLogP3.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 162412080) is tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is Cc1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is LKGMIFCVVCUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-9-19-12(15-10)11-6-5-7-16(8-11)13(17)18-14(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 162412080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).