5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

C12H9N3OS — CID 82386342

IUPAC5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCc1ncc(-c2cccc3nc(C=O)cn23)s1
InChIInChI=1S/C12H9N3OS/c1-8-13-5-11(17-8)10-3-2-4-12-14-9(7-16)6-15(10)12/h2-7H,1H3
InChIKeyNEVAQCVFMNUZHK-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 82386342) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID82386342
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCc1ncc(-c2cccc3nc(C=O)cn23)s1
InChIInChI=1S/C12H9N3OS/c1-8-13-5-11(17-8)10-3-2-4-12-14-9(7-16)6-15(10)12/h2-7H,1H3
InChIKeyNEVAQCVFMNUZHK-UHFFFAOYSA-N
XLogP2.58
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (CID 82386342) is 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is Cc1ncc(-c2cccc3nc(C=O)cn23)s1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is NEVAQCVFMNUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-13-5-11(17-8)10-3-2-4-12-14-9(7-16)6-15(10)12/h2-7H,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 82386342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).