4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C18H13FN2OS — CID 16662870

IUPAC4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3
InChIKeyFHOVFKHGZUVLKC-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.06
Rot. Bonds2

About 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662870) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662870
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3
InChIKeyFHOVFKHGZUVLKC-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.06
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-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662870) is 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is COc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.
What is the InChIKey of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is FHOVFKHGZUVLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3.
What are the key properties of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 324.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).