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

C11H9N3OS — CID 82390594

IUPAC6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESCn1cccc1-c1cn2cc(C=O)sc2n1
InChIInChI=1S/C11H9N3OS/c1-13-4-2-3-10(13)9-6-14-5-8(7-15)16-11(14)12-9/h2-7H,1H3
InChIKeyVIAFPSLMHUKUIO-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.21
Rot. Bonds2

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

6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 82390594) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID82390594
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESCn1cccc1-c1cn2cc(C=O)sc2n1
InChIInChI=1S/C11H9N3OS/c1-13-4-2-3-10(13)9-6-14-5-8(7-15)16-11(14)12-9/h2-7H,1H3
InChIKeyVIAFPSLMHUKUIO-UHFFFAOYSA-N
XLogP2.21
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.21
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-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde (CID 82390594) is 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde is Cn1cccc1-c1cn2cc(C=O)sc2n1.
What is the InChIKey of 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is VIAFPSLMHUKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-13-4-2-3-10(13)9-6-14-5-8(7-15)16-11(14)12-9/h2-7H,1H3.
What are the key properties of 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 231.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 82390594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).