tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

C14H21BrN2O2S — CID 66509374

IUPACtert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1Br
InChIInChI=1S/C14H21BrN2O2S/c1-9-11(15)20-12(16-9)10-5-7-17(8-6-10)13(18)19-14(2,3)4/h10H,5-8H2,1-4H3
InChIKeyGPWDALULNWKCDI-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.33
Rot. Bonds1

About tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 66509374) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID66509374
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Nametert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1Br
InChIInChI=1S/C14H21BrN2O2S/c1-9-11(15)20-12(16-9)10-5-7-17(8-6-10)13(18)19-14(2,3)4/h10H,5-8H2,1-4H3
InChIKeyGPWDALULNWKCDI-UHFFFAOYSA-N
XLogP4.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[5-(3-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 175038811
tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 153383485
tert-butyl 4-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxylate
CID 171094212
tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 130131991
tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 160889980
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
ethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidin-4-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 54072537
ethyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 3731955
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 66509374) is tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1Br.
What is the InChIKey of tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is GPWDALULNWKCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9-11(15)20-12(16-9)10-5-7-17(8-6-10)13(18)19-14(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 361.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66509374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).