2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

C12H14N2OS — CID 63803177

IUPAC2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)Sc1nc2ccccn2c1C=O
InChIInChI=1S/C12H14N2OS/c1-3-9(2)16-12-10(8-15)14-7-5-4-6-11(14)13-12/h4-9H,3H2,1-2H3
InChIKeyUDSWNENFRSSQNW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.04
Rot. Bonds4

About 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 63803177) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID63803177
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)Sc1nc2ccccn2c1C=O
InChIInChI=1S/C12H14N2OS/c1-3-9(2)16-12-10(8-15)14-7-5-4-6-11(14)13-12/h4-9H,3H2,1-2H3
InChIKeyUDSWNENFRSSQNW-UHFFFAOYSA-N
XLogP3.04
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
2-(2-methylbutylsulfanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 107761198
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63805879
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104552444
2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63804235
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803375
2-thiophen-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 55240670
2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 55238198
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778330

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 63803177) is 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)Sc1nc2ccccn2c1C=O.
What is the InChIKey of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is UDSWNENFRSSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-9(2)16-12-10(8-15)14-7-5-4-6-11(14)13-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 234.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 63803177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).