imidazo[5,1-b][1,3]thiazole-2-carbaldehyde

C6H4N2OS — CID 19605192

IUPACimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cncc2s1
InChIInChI=1S/C6H4N2OS/c9-3-5-2-8-4-7-1-6(8)10-5/h1-4H
InChIKeyDDSDMSXABUHNKG-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.21
Rot. Bonds1

About imidazo[5,1-b][1,3]thiazole-2-carbaldehyde

imidazo[5,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 19605192) 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-2-carbaldehyde.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID19605192
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Nameimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cncc2s1
InChIInChI=1S/C6H4N2OS/c9-3-5-2-8-4-7-1-6(8)10-5/h1-4H
InChIKeyDDSDMSXABUHNKG-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-2-carbaldehyde?
The IUPAC name of imidazo[5,1-b][1,3]thiazole-2-carbaldehyde (CID 19605192) is imidazo[5,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for imidazo[5,1-b][1,3]thiazole-2-carbaldehyde is O=Cc1cn2cncc2s1.
What is the InChIKey of imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is DDSDMSXABUHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-3-5-2-8-4-7-1-6(8)10-5/h1-4H.
What are the key properties of imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
imidazo[5,1-b][1,3]thiazole-2-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-2-carbaldehyde is sourced from PubChem (CID 19605192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).