4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde

C10H8N2OS — CID 91664691

IUPAC4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccncc1-c1ncsc1C=O
InChIInChI=1S/C10H8N2OS/c1-7-2-3-11-4-8(7)10-9(5-13)14-6-12-10/h2-6H,1H3
InChIKeyXEHIJDMFOGFENB-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.33
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde

4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 91664691) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde
PubChem CID91664691
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccncc1-c1ncsc1C=O
InChIInChI=1S/C10H8N2OS/c1-7-2-3-11-4-8(7)10-9(5-13)14-6-12-10/h2-6H,1H3
InChIKeyXEHIJDMFOGFENB-UHFFFAOYSA-N
XLogP2.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-methyl-3-pyridinyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde (CID 91664691) is 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde is Cc1ccncc1-c1ncsc1C=O.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XEHIJDMFOGFENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-7-2-3-11-4-8(7)10-9(5-13)14-6-12-10/h2-6H,1H3.
What are the key properties of 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde?
4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 91664691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).