imidazo[5,1-b][1,3]thiazole-7-carbaldehyde

C6H4N2OS — CID 22390357

IUPACimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
SMILESO=Cc1ncn2ccsc12
InChIInChI=1S/C6H4N2OS/c9-3-5-6-8(4-7-5)1-2-10-6/h1-4H
InChIKeyNIHCWUFNKJFVBM-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.21
Rot. Bonds1

About imidazo[5,1-b][1,3]thiazole-7-carbaldehyde

imidazo[5,1-b][1,3]thiazole-7-carbaldehyde (PubChem CID 22390357) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is imidazo[5,1-b][1,3]thiazole-7-carbaldehyde.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
PubChem CID22390357
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Nameimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
SMILESO=Cc1ncn2ccsc12
InChIInChI=1S/C6H4N2OS/c9-3-5-6-8(4-7-5)1-2-10-6/h1-4H
InChIKeyNIHCWUFNKJFVBM-UHFFFAOYSA-N
XLogP1.21
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The IUPAC name of imidazo[5,1-b][1,3]thiazole-7-carbaldehyde (CID 22390357) is imidazo[5,1-b][1,3]thiazole-7-carbaldehyde.
What is the SMILES notation for imidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The canonical SMILES for imidazo[5,1-b][1,3]thiazole-7-carbaldehyde is O=Cc1ncn2ccsc12.
What is the InChIKey of imidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The InChIKey is NIHCWUFNKJFVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-3-5-6-8(4-7-5)1-2-10-6/h1-4H.
What are the key properties of imidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
imidazo[5,1-b][1,3]thiazole-7-carbaldehyde has a molecular weight of 152.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b][1,3]thiazole-7-carbaldehyde is sourced from PubChem (CID 22390357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).