5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole

C15H11FN2OS — CID 142709438

IUPAC5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccccc2-c2ncsc2F)cn1
InChIInChI=1S/C15H11FN2OS/c1-19-13-7-6-10(8-17-13)11-4-2-3-5-12(11)14-15(16)20-9-18-14/h2-9H,1H3
InChIKeySZKYFZOCOIQMAN-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.02
Rot. Bonds3

About 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole

5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole (PubChem CID 142709438) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
PubChem CID142709438
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccccc2-c2ncsc2F)cn1
InChIInChI=1S/C15H11FN2OS/c1-19-13-7-6-10(8-17-13)11-4-2-3-5-12(11)14-15(16)20-9-18-14/h2-9H,1H3
InChIKeySZKYFZOCOIQMAN-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole (CID 142709438) is 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole is COc1ccc(-c2ccccc2-c2ncsc2F)cn1.
What is the InChIKey of 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The InChIKey is SZKYFZOCOIQMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-19-13-7-6-10(8-17-13)11-4-2-3-5-12(11)14-15(16)20-9-18-14/h2-9H,1H3.
What are the key properties of 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole has a molecular weight of 286.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 142709438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).