tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate

C8H10BrClN2O2S — CID 72942157

IUPACtert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Br)c(Cl)s1
InChIInChI=1S/C8H10BrClN2O2S/c1-8(2,3)14-7(13)12-6-11-4(9)5(10)15-6/h1-3H3,(H,11,12,13)
InChIKeyYABOZROIIUSHAJ-UHFFFAOYSA-N
MW313.60 g/mol
LogP3.91
Rot. Bonds1

About tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate (PubChem CID 72942157) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate
PubChem CID72942157
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC Nametert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Br)c(Cl)s1
InChIInChI=1S/C8H10BrClN2O2S/c1-8(2,3)14-7(13)12-6-11-4(9)5(10)15-6/h1-3H3,(H,11,12,13)
InChIKeyYABOZROIIUSHAJ-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate (CID 72942157) is tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(Br)c(Cl)s1.
What is the InChIKey of tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate?
The InChIKey is YABOZROIIUSHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-8(2,3)14-7(13)12-6-11-4(9)5(10)15-6/h1-3H3,(H,11,12,13).
What are the key properties of tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate has a molecular weight of 313.60 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 72942157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).