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

C6H4N2OS — CID 18359938

IUPACimidazo[5,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1ncc2sccn12
InChIInChI=1S/C6H4N2OS/c9-4-5-7-3-6-8(5)1-2-10-6/h1-4H
InChIKeyPYDYRXPJPRPZDS-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.21
Rot. Bonds1

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

imidazo[5,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 18359938) 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-5-carbaldehyde.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID18359938
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Nameimidazo[5,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1ncc2sccn12
InChIInChI=1S/C6H4N2OS/c9-4-5-7-3-6-8(5)1-2-10-6/h1-4H
InChIKeyPYDYRXPJPRPZDS-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'}

Analyze imidazo[5,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imidazo(2,1-b)thiazole
CID 817024
5-Trifluoromethylimidazo[5,1-b]thiazole
CID 154926097
Imidazo[5,1-b]thiazole
CID 21262404
7-(2-Fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazole
CID 22631659
7-Fluoromethylthioimidazo[5,1-b]thiazole
CID 22632038
5-(N-methyl-N-trifluoroacetylamino)methylimidazo[5,1-b]thiazole
CID 22916700
N,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide
CID 88242695
2,2,2-Trifluoro-1-imidazo[5,1-b][1,3]thiazol-5-ylethanone
CID 83389034
6-Methylsulfanylimidazo[2,1-b][1,3]thiazole
CID 14422460
Imidazo[5,1-b]thiazole-3-carbaldehyde
CID 15379550
6-Methylimidazo[5,1-b][1,3]thiazol-6-ium
CID 17773790
5-Methylimidazo[5,1-b]thiazole
CID 17773803

Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of imidazo[5,1-b][1,3]thiazole-5-carbaldehyde (CID 18359938) is imidazo[5,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for imidazo[5,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for imidazo[5,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1ncc2sccn12.
What is the InChIKey of imidazo[5,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PYDYRXPJPRPZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-4-5-7-3-6-8(5)1-2-10-6/h1-4H.
What are the key properties of imidazo[5,1-b][1,3]thiazole-5-carbaldehyde?
imidazo[5,1-b][1,3]thiazole-5-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-5-carbaldehyde is sourced from PubChem (CID 18359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).