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

C10H9BrN2S2 — CID 62549803

IUPAC2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESBrc1csc(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C10H9BrN2S2/c11-6-3-8(14-5-6)10-13-7-1-2-12-4-9(7)15-10/h3,5,12H,1-2,4H2
InChIKeyZTEOMMKJNNUCAY-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.28
Rot. Bonds1

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

2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62549803) has the molecular formula C10H9BrN2S2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62549803
Molecular FormulaC10H9BrN2S2
Molecular Weight301.23 g/mol
Exact Mass299.94
IUPAC Name2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESBrc1csc(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C10H9BrN2S2/c11-6-3-8(14-5-6)10-13-7-1-2-12-4-9(7)15-10/h3,5,12H,1-2,4H2
InChIKeyZTEOMMKJNNUCAY-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine 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 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62549803) is 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Brc1csc(-c2nc3c(s2)CNCC3)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is ZTEOMMKJNNUCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S2/c11-6-3-8(14-5-6)10-13-7-1-2-12-4-9(7)15-10/h3,5,12H,1-2,4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 301.23 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62549803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).