6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C16H15N3OS — CID 62133577

IUPAC6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCC(c3ccccc3)C2)nc2sccn12
InChIInChI=1S/C16H15N3OS/c20-11-14-15(17-16-19(14)8-9-21-16)18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2
InChIKeyCBZHDQVSIFCVPT-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.20
Rot. Bonds3

About 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 62133577) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID62133577
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCC(c3ccccc3)C2)nc2sccn12
InChIInChI=1S/C16H15N3OS/c20-11-14-15(17-16-19(14)8-9-21-16)18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2
InChIKeyCBZHDQVSIFCVPT-UHFFFAOYSA-N
XLogP3.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.20
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 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 62133577) is 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(N2CCC(c3ccccc3)C2)nc2sccn12.
What is the InChIKey of 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is CBZHDQVSIFCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-11-14-15(17-16-19(14)8-9-21-16)18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2.
What are the key properties of 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 297.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 62133577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).