4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole

C11H11FN2O2S — CID 79719502

IUPAC4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H11FN2O2S/c1-15-11(16-2)9-6-17-10(14-9)8-4-3-7(12)5-13-8/h3-6,11H,1-2H3
InChIKeyOYDYSPLXCOJZNA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole (PubChem CID 79719502) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
PubChem CID79719502
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H11FN2O2S/c1-15-11(16-2)9-6-17-10(14-9)8-4-3-7(12)5-13-8/h3-6,11H,1-2H3
InChIKeyOYDYSPLXCOJZNA-UHFFFAOYSA-N
XLogP2.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole (CID 79719502) is 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole is COC(OC)c1csc(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The InChIKey is OYDYSPLXCOJZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-15-11(16-2)9-6-17-10(14-9)8-4-3-7(12)5-13-8/h3-6,11H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole has a molecular weight of 254.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 79719502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).