2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

C12H12FNOS — CID 79025580

IUPAC2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2ccccc2F)sc1C
InChIInChI=1S/C12H12FNOS/c1-8-9(2)16-12(14-8)7-15-11-6-4-3-5-10(11)13/h3-6H,7H2,1-2H3
InChIKeyMRGYCKZTRDGKAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.48
Rot. Bonds3

About 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 79025580) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID79025580
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2ccccc2F)sc1C
InChIInChI=1S/C12H12FNOS/c1-8-9(2)16-12(14-8)7-15-11-6-4-3-5-10(11)13/h3-6H,7H2,1-2H3
InChIKeyMRGYCKZTRDGKAA-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (CID 79025580) is 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(COc2ccccc2F)sc1C.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is MRGYCKZTRDGKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-9(2)16-12(14-8)7-15-11-6-4-3-5-10(11)13/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 79025580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).