4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole

C11H10FNOS — CID 768767

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C)n2)cc1F
InChIInChI=1S/C11H10FNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyUBJPPCWFFLNOFK-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.27
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole

4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole (PubChem CID 768767) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole
PubChem CID768767
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C)n2)cc1F
InChIInChI=1S/C11H10FNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyUBJPPCWFFLNOFK-UHFFFAOYSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole (CID 768767) is 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole is COc1ccc(-c2csc(C)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The InChIKey is UBJPPCWFFLNOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole?
4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole has a molecular weight of 223.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 768767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).