5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine

C13H16N2OS — CID 117131597

IUPAC5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc2nc(C3CCCSC3)cn12
InChIInChI=1S/C13H16N2OS/c1-16-13-6-2-5-12-14-11(8-15(12)13)10-4-3-7-17-9-10/h2,5-6,8,10H,3-4,7,9H2,1H3
InChIKeyRZTMTXGHKGXJDX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.95
Rot. Bonds2

About 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine

5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine (PubChem CID 117131597) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
PubChem CID117131597
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc2nc(C3CCCSC3)cn12
InChIInChI=1S/C13H16N2OS/c1-16-13-6-2-5-12-14-11(8-15(12)13)10-4-3-7-17-9-10/h2,5-6,8,10H,3-4,7,9H2,1H3
InChIKeyRZTMTXGHKGXJDX-UHFFFAOYSA-N
XLogP2.95
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(thiolan-3-yl)imidazo[1,2-a]pyridine
CID 117131140
(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82599470
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
methyl 2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136382
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131993
2-[(1-ethylpiperidin-4-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131475
7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134039
6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 114283172
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117131596
5-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridine
CID 117131634
3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140658
2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117131654

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine (CID 117131597) is 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine is COc1cccc2nc(C3CCCSC3)cn12.
What is the InChIKey of 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is RZTMTXGHKGXJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-13-6-2-5-12-14-11(8-15(12)13)10-4-3-7-17-9-10/h2,5-6,8,10H,3-4,7,9H2,1H3.
What are the key properties of 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine?
5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 248.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117131597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).