8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine

C13H15BrN2S — CID 117136980

IUPAC8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccn2cc(CC3CCCSC3)nc12
InChIInChI=1S/C13H15BrN2S/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2
InChIKeyJCTNCGACWHSIDO-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.78
Rot. Bonds2

About 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine

8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117136980) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117136980
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccn2cc(CC3CCCSC3)nc12
InChIInChI=1S/C13H15BrN2S/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2
InChIKeyJCTNCGACWHSIDO-UHFFFAOYSA-N
XLogP3.78
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136976
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
8-methyl-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136072
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136060
4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
CID 117106269
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115044020
8-methyl-2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136718
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 117256707
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine (CID 117136980) is 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine is Brc1cccn2cc(CC3CCCSC3)nc12.
What is the InChIKey of 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is JCTNCGACWHSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2.
What are the key properties of 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 311.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117136980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).