tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate

C14H15BrN2O2S — CID 58248384

IUPACtert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1-c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O2S/c1-14(2,3)19-13(18)17-11-6-7-20-12(11)10-5-4-9(15)8-16-10/h4-8H,1-3H3,(H,17,18)
InChIKeyBNNKZPAHRSRLKO-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.92
Rot. Bonds2

About tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate

tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate (PubChem CID 58248384) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate
PubChem CID58248384
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Nametert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1-c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O2S/c1-14(2,3)19-13(18)17-11-6-7-20-12(11)10-5-4-9(15)8-16-10/h4-8H,1-3H3,(H,17,18)
InChIKeyBNNKZPAHRSRLKO-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[2-[5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]thiophen-3-yl]carbamate
CID 86717532
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-[2-(5-bromo-2-carbamoyl-3-pyridinyl)phenyl]carbamate
CID 69363019
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[3-(5-bromo-2-pyridinyl)-3-hydroxypropyl]carbamate
CID 86713197
tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
CID 155167221
tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
CID 155167223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate (CID 58248384) is tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccsc1-c1ccc(Br)cn1.
What is the InChIKey of tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate?
The InChIKey is BNNKZPAHRSRLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-14(2,3)19-13(18)17-11-6-7-20-12(11)10-5-4-9(15)8-16-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate?
tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate has a molecular weight of 355.26 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 58248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).