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

C18H14N2OS — CID 16662929

IUPAC4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3
InChIKeyHEYQPWABWASEBA-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.92
Rot. Bonds2

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

4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662929) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662929
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3
InChIKeyHEYQPWABWASEBA-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662929) is 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is COc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.
What is the InChIKey of 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is HEYQPWABWASEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3.
What are the key properties of 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 306.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).