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

C7H8F3NO2S — CID 112639655

IUPAC4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3NO2S/c1-12-5(13-2)4-3-14-6(11-4)7(8,9)10/h3,5H,1-2H3
InChIKeyVDMYLSZVUMGFGB-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.45
Rot. Bonds3

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

4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 112639655) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID112639655
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Name4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3NO2S/c1-12-5(13-2)4-3-14-6(11-4)7(8,9)10/h3,5H,1-2H3
InChIKeyVDMYLSZVUMGFGB-UHFFFAOYSA-N
XLogP2.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.45
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-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 112639655) is 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is COC(OC)c1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VDMYLSZVUMGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2S/c1-12-5(13-2)4-3-14-6(11-4)7(8,9)10/h3,5H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 227.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 112639655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).