tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate

C10H15BrN2O2S — CID 86811766

IUPACtert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(Br)n1
InChIInChI=1S/C10H15BrN2O2S/c1-10(2,3)15-9(14)12-5-4-7-6-16-8(11)13-7/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyXQIWDCFENCGYGA-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate

tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 86811766) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID86811766
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Nametert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(Br)n1
InChIInChI=1S/C10H15BrN2O2S/c1-10(2,3)15-9(14)12-5-4-7-6-16-8(11)13-7/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyXQIWDCFENCGYGA-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate (CID 86811766) is tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1csc(Br)n1.
What is the InChIKey of tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is XQIWDCFENCGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-10(2,3)15-9(14)12-5-4-7-6-16-8(11)13-7/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 307.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 86811766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).