4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C11H7ClN2S — CID 11637242

IUPAC4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cccnc2Cl)cs1
InChIInChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)5-4-9-3-2-6-13-11(9)12/h2-3,6-7H,1H3
InChIKeyQLWMJSFCHZCXRN-UHFFFAOYSA-N
MW234.71 g/mol
LogP2.90
Rot. Bonds

About 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11637242) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID11637242
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cccnc2Cl)cs1
InChIInChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)5-4-9-3-2-6-13-11(9)12/h2-3,6-7H,1H3
InChIKeyQLWMJSFCHZCXRN-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-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 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 11637242) is 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2cccnc2Cl)cs1.
What is the InChIKey of 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is QLWMJSFCHZCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)5-4-9-3-2-6-13-11(9)12/h2-3,6-7H,1H3.
What are the key properties of 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 234.71 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11637242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).