6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine

C12H14BrN3S — CID 114283172

IUPAC6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(C2CCCSC2)nc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3S/c13-9-3-4-10-15-11(12(14)16(10)6-9)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7,14H2
InChIKeyFQIWWWAXOBUTJX-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.29
Rot. Bonds1

About 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 114283172) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID114283172
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(C2CCCSC2)nc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3S/c13-9-3-4-10-15-11(12(14)16(10)6-9)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7,14H2
InChIKeyFQIWWWAXOBUTJX-UHFFFAOYSA-N
XLogP3.29
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63617790
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138737
6-bromo-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 3670633
2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
CID 114283153
6-bromo-3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115053243
6-bromo-2-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine
CID 79730159
N-(6-bromo-2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-methylformamide
CID 90446622
5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
CID 117131597
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
2-(4-tert-butylcyclohexyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 104575946
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 83170571

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine (CID 114283172) is 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine is Nc1c(C2CCCSC2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is FQIWWWAXOBUTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-9-3-4-10-15-11(12(14)16(10)6-9)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7,14H2.
What are the key properties of 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 312.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 114283172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).