tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate

C15H24BrN3O2S — CID 135198636

IUPACtert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ncc(Br)s2)CC1
InChIInChI=1S/C15H24BrN3O2S/c1-15(2,3)21-14(20)18(4)11-5-7-19(8-6-11)10-13-17-9-12(16)22-13/h9,11H,5-8,10H2,1-4H3
InChIKeyLRZNMPASPMRYSY-UHFFFAOYSA-N
MW390.35 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 135198636) has the molecular formula C15H24BrN3O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate
PubChem CID135198636
Molecular FormulaC15H24BrN3O2S
Molecular Weight390.35 g/mol
Exact Mass389.08
IUPAC Nametert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ncc(Br)s2)CC1
InChIInChI=1S/C15H24BrN3O2S/c1-15(2,3)21-14(20)18(4)11-5-7-19(8-6-11)10-13-17-9-12(16)22-13/h9,11H,5-8,10H2,1-4H3
InChIKeyLRZNMPASPMRYSY-UHFFFAOYSA-N
XLogP3.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate (CID 135198636) is tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(Cc2ncc(Br)s2)CC1.
What is the InChIKey of tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is LRZNMPASPMRYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2S/c1-15(2,3)21-14(20)18(4)11-5-7-19(8-6-11)10-13-17-9-12(16)22-13/h9,11H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 390.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 135198636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).