4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole

C12H12FNO2S — CID 66054356

IUPAC4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FNO2S/c1-15-12(16-2)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7,12H,1-2H3
InChIKeyOQJNNUPEISIXQJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.24
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole (PubChem CID 66054356) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
PubChem CID66054356
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FNO2S/c1-15-12(16-2)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7,12H,1-2H3
InChIKeyOQJNNUPEISIXQJ-UHFFFAOYSA-N
XLogP3.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole (CID 66054356) is 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole is COC(OC)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole?
The InChIKey is OQJNNUPEISIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-15-12(16-2)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7,12H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole has a molecular weight of 253.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 66054356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).