4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C13H8N2S — CID 11514100

IUPAC4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESC#Cc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H8N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h1,6-9H,2H3
InChIKeyYOWSKYGQAZYPKK-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.23
Rot. Bonds

About 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11514100) has the molecular formula C13H8N2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID11514100
Molecular FormulaC13H8N2S
Molecular Weight224.29 g/mol
Exact Mass224.04
IUPAC Name4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESC#Cc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H8N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h1,6-9H,2H3
InChIKeyYOWSKYGQAZYPKK-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 11514100) is 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is C#Cc1cncc(C#Cc2csc(C)n2)c1.
What is the InChIKey of 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is YOWSKYGQAZYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h1,6-9H,2H3.
What are the key properties of 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 224.29 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11514100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).