2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C12H9N3OS2 — CID 63803375

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1csc(Sc2nc3ccccn3c2C=O)n1
InChIInChI=1S/C12H9N3OS2/c1-8-7-17-12(13-8)18-11-9(6-16)15-5-3-2-4-10(15)14-11/h2-7H,1H3
InChIKeyCXIRGMOPWANQBR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.06
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 63803375) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID63803375
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1csc(Sc2nc3ccccn3c2C=O)n1
InChIInChI=1S/C12H9N3OS2/c1-8-7-17-12(13-8)18-11-9(6-16)15-5-3-2-4-10(15)14-11/h2-7H,1H3
InChIKeyCXIRGMOPWANQBR-UHFFFAOYSA-N
XLogP3.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
2-(2,5-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63804235
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803177
2-(2-methylbutylsulfanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 107761198
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 61346910
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 44820379
2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477926
2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 132606237

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 63803375) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1csc(Sc2nc3ccccn3c2C=O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is CXIRGMOPWANQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-8-7-17-12(13-8)18-11-9(6-16)15-5-3-2-4-10(15)14-11/h2-7H,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 275.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 63803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).