2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole

C12H11F2NO2S — CID 66055943

IUPAC2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H11F2NO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3
InChIKeySVYAEYDKJVLVBG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.38
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole

2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole (PubChem CID 66055943) has the molecular formula C12H11F2NO2S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
PubChem CID66055943
Molecular FormulaC12H11F2NO2S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H11F2NO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3
InChIKeySVYAEYDKJVLVBG-UHFFFAOYSA-N
XLogP3.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole (CID 66055943) is 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole is COC(OC)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The InChIKey is SVYAEYDKJVLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole has a molecular weight of 271.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 66055943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).