4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde

C14H11N3OS — CID 171095802

IUPAC4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1snc(-c2cccc3nccn23)c1C1CC1
InChIInChI=1S/C14H11N3OS/c18-8-11-13(9-4-5-9)14(16-19-11)10-2-1-3-12-15-6-7-17(10)12/h1-3,6-9H,4-5H2
InChIKeyZEFJSIKZOVSWFS-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.15
Rot. Bonds3

About 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde

4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde (PubChem CID 171095802) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde
PubChem CID171095802
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1snc(-c2cccc3nccn23)c1C1CC1
InChIInChI=1S/C14H11N3OS/c18-8-11-13(9-4-5-9)14(16-19-11)10-2-1-3-12-15-6-7-17(10)12/h1-3,6-9H,4-5H2
InChIKeyZEFJSIKZOVSWFS-UHFFFAOYSA-N
XLogP3.15
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.15
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 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde (CID 171095802) is 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde is O=Cc1snc(-c2cccc3nccn23)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde?
The InChIKey is ZEFJSIKZOVSWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-8-11-13(9-4-5-9)14(16-19-11)10-2-1-3-12-15-6-7-17(10)12/h1-3,6-9H,4-5H2.
What are the key properties of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde?
4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carbaldehyde is sourced from PubChem (CID 171095802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).