2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole

C12H10N2S — CID 67030887

IUPAC2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1cccc(C#Cc2csc(C)n2)n1
InChIInChI=1S/C12H10N2S/c1-9-4-3-5-11(13-9)6-7-12-8-15-10(2)14-12/h3-5,8H,1-2H3
InChIKeyAVBKOEFONQTGOE-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.55
Rot. Bonds

About 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole

2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 67030887) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole
PubChem CID67030887
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1cccc(C#Cc2csc(C)n2)n1
InChIInChI=1S/C12H10N2S/c1-9-4-3-5-11(13-9)6-7-12-8-15-10(2)14-12/h3-5,8H,1-2H3
InChIKeyAVBKOEFONQTGOE-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.55
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 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole (CID 67030887) is 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole is Cc1cccc(C#Cc2csc(C)n2)n1.
What is the InChIKey of 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole?
The InChIKey is AVBKOEFONQTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-9-4-3-5-11(13-9)6-7-12-8-15-10(2)14-12/h3-5,8H,1-2H3.
What are the key properties of 2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole?
2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 214.29 g/mol, XLogP of 2.55, 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-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 67030887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).