2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole

C10H9FN2OS — CID 107511827

IUPAC2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccncc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-14-5-7-6-15-10(13-7)8-2-3-12-4-9(8)11/h2-4,6H,5H2,1H3
InChIKeyYKEGNNYQZPUDMP-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole

2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511827) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511827
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccncc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-14-5-7-6-15-10(13-7)8-2-3-12-4-9(8)11/h2-4,6H,5H2,1H3
InChIKeyYKEGNNYQZPUDMP-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole (CID 107511827) is 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2ccncc2F)n1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is YKEGNNYQZPUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-14-5-7-6-15-10(13-7)8-2-3-12-4-9(8)11/h2-4,6H,5H2,1H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole?
2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 224.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).