2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole

C13H13F2NO2S — CID 66056538

IUPAC2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H13F2NO2S/c1-17-13(18-2)11-7-19-12(16-11)5-8-3-9(14)6-10(15)4-8/h3-4,6-7,13H,5H2,1-2H3
InChIKeyXZITVWUXNPVXGX-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.30
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole

2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole (PubChem CID 66056538) has the molecular formula C13H13F2NO2S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole
PubChem CID66056538
Molecular FormulaC13H13F2NO2S
Molecular Weight285.32 g/mol
Exact Mass285.06
IUPAC Name2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H13F2NO2S/c1-17-13(18-2)11-7-19-12(16-11)5-8-3-9(14)6-10(15)4-8/h3-4,6-7,13H,5H2,1-2H3
InChIKeyXZITVWUXNPVXGX-UHFFFAOYSA-N
XLogP3.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.30
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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Related Compounds

4-(But-2-ynoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 25262720
[2-[(3,5-Difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol
CID 57315760
4-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 67275702
Methyl 4-[difluoro(phenyl)methyl]-1,3-thiazole-2-carboxylate
CID 68873279
[2-[3-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
CID 90983442
[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
CID 91334035
[2-[2-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
CID 91338770
Ethyl 4-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxylate
CID 121301954
Ethyl 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 122476531
4-(Methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
CID 141166768
Ethyl 2-[5-(2,4-difluorophenyl)pentyl]-1,3-thiazole-4-carboxylate
CID 149230336
Ethyl 2-[5-(2,5-difluorophenyl)pentyl]-1,3-thiazole-4-carboxylate
CID 149566597

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole (CID 66056538) is 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole is COC(OC)c1csc(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole?
The InChIKey is XZITVWUXNPVXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S/c1-17-13(18-2)11-7-19-12(16-11)5-8-3-9(14)6-10(15)4-8/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole?
2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole has a molecular weight of 285.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 66056538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).