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

C11H8N2S — CID 71720153

IUPAC4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole
SMILESCc1csc(C#Cc2cccnc2)n1
InChIInChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
InChIKeyZTOHOXCKSPKZEM-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.25
Rot. Bonds

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

4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole (PubChem CID 71720153) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole
PubChem CID71720153
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole
SMILESCc1csc(C#Cc2cccnc2)n1
InChIInChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
InChIKeyZTOHOXCKSPKZEM-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole (CID 71720153) is 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole is Cc1csc(C#Cc2cccnc2)n1.
What is the InChIKey of 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The InChIKey is ZTOHOXCKSPKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3.
What are the key properties of 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole?
4-methyl-2-(2-pyridin-3-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 4-methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole is sourced from PubChem (CID 71720153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).