6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine

C13H16N2OS — CID 117128899

IUPAC6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1ccc2nc(C3CCSCC3)cn2c1
InChIInChI=1S/C13H16N2OS/c1-16-11-2-3-13-14-12(9-15(13)8-11)10-4-6-17-7-5-10/h2-3,8-10H,4-7H2,1H3
InChIKeyALEPQXCGIPCNPF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.95
Rot. Bonds2

About 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine

6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine (PubChem CID 117128899) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine
PubChem CID117128899
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1ccc2nc(C3CCSCC3)cn2c1
InChIInChI=1S/C13H16N2OS/c1-16-11-2-3-13-14-12(9-15(13)8-11)10-4-6-17-7-5-10/h2-3,8-10H,4-7H2,1H3
InChIKeyALEPQXCGIPCNPF-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

6-methoxy-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 105471156
2-bromo-6-methoxyimidazo[1,2-a]pyridine
CID 46737967
2-(thian-4-yl)imidazo[1,2-a]pyridin-7-amine
CID 117133650
2-cyclopentyl-7-methoxyimidazo[1,2-a]pyridine
CID 117135531
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940
6-chloro-2-(4-methoxycyclohexyl)imidazo[1,2-a]pyridine
CID 131993654
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
2-[(1-ethylpiperidin-4-yl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117129178
6-methoxy-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridine
CID 117130164
2-(6-methoxyimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115018984
2-methoxy-6-(thian-4-yl)pyridin-3-amine
CID 115034695
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine (CID 117128899) is 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine is COc1ccc2nc(C3CCSCC3)cn2c1.
What is the InChIKey of 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is ALEPQXCGIPCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-11-2-3-13-14-12(9-15(13)8-11)10-4-6-17-7-5-10/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine?
6-methoxy-2-(thian-4-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 6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117128899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).