2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole

C11H8N2S — CID 11063448

IUPAC2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole
SMILESCc1nc(C#Cc2ccccn2)cs1
InChIInChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3
InChIKeyBQDSXKBRSCMFRW-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.25
Rot. Bonds

About 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole

2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole (PubChem CID 11063448) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole
PubChem CID11063448
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole
SMILESCc1nc(C#Cc2ccccn2)cs1
InChIInChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3
InChIKeyBQDSXKBRSCMFRW-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole 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 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole (CID 11063448) is 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole is Cc1nc(C#Cc2ccccn2)cs1.
What is the InChIKey of 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole?
The InChIKey is BQDSXKBRSCMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3.
What are the key properties of 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole?
2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole has a molecular weight of 200.27 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-2-ylethynyl)-1,3-thiazole is sourced from PubChem (CID 11063448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).