3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde

C8H7N3OS — CID 71386896

IUPAC3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1-c1nccs1
InChIInChI=1S/C8H7N3OS/c1-11-6(5-12)4-10-7(11)8-9-2-3-13-8/h2-5H,1H3
InChIKeyKKFQYSCXLKUTHR-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.36
Rot. Bonds2

About 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde

3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde (PubChem CID 71386896) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
PubChem CID71386896
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1-c1nccs1
InChIInChI=1S/C8H7N3OS/c1-11-6(5-12)4-10-7(11)8-9-2-3-13-8/h2-5H,1H3
InChIKeyKKFQYSCXLKUTHR-UHFFFAOYSA-N
XLogP1.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The IUPAC name of 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde (CID 71386896) is 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde is Cn1c(C=O)cnc1-c1nccs1.
What is the InChIKey of 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The InChIKey is KKFQYSCXLKUTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-11-6(5-12)4-10-7(11)8-9-2-3-13-8/h2-5H,1H3.
What are the key properties of 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde has a molecular weight of 193.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde is sourced from PubChem (CID 71386896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).