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

C13H20N2O2S — CID 53485227

IUPACtert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-7-4-5-10(9-15)11-14-6-8-18-11/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeySKKKTDLHMFDENV-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.26
Rot. Bonds1

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

tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 53485227) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID53485227
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-7-4-5-10(9-15)11-14-6-8-18-11/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeySKKKTDLHMFDENV-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-thiazolyl)[1,4'-bipiperidine]-1'-carboxylate
CID 78318313
US10030012, Example 26
CID 78318932
Tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 58180056
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] piperidine-1-carboxylate
CID 44521939
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
3-Methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70782939
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
3-[Methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 75431807
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
Tert-butyl 4-(5-bromothiazol-2-yl)-4-fluoropiperidine-1-carboxylate
CID 57685866
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297268

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 53485227) is tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is SKKKTDLHMFDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-7-4-5-10(9-15)11-14-6-8-18-11/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 53485227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).