2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C12H10BrClN2S — CID 114077278

IUPAC2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cc(-c2nc3c(s2)CNCC3)ccc1Br
InChIInChI=1S/C12H10BrClN2S/c13-8-2-1-7(5-9(8)14)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2
InChIKeySHXQGWXWUDOOGM-UHFFFAOYSA-N
MW329.65 g/mol
LogP3.87
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 114077278) has the molecular formula C12H10BrClN2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID114077278
Molecular FormulaC12H10BrClN2S
Molecular Weight329.65 g/mol
Exact Mass327.94
IUPAC Name2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cc(-c2nc3c(s2)CNCC3)ccc1Br
InChIInChI=1S/C12H10BrClN2S/c13-8-2-1-7(5-9(8)14)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2
InChIKeySHXQGWXWUDOOGM-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 114077278) is 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Clc1cc(-c2nc3c(s2)CNCC3)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SHXQGWXWUDOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2S/c13-8-2-1-7(5-9(8)14)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 329.65 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 114077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).