4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

C14H14F3NO2S — CID 66057130

IUPAC4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESCOC(OC)c1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3NO2S/c1-19-13(20-2)11-8-21-12(18-11)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8,13H,7H2,1-2H3
InChIKeyVRYSNGVSRNMORP-UHFFFAOYSA-N
MW317.33 g/mol
LogP4.04
Rot. Bonds5

About 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 66057130) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
PubChem CID66057130
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESCOC(OC)c1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3NO2S/c1-19-13(20-2)11-8-21-12(18-11)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8,13H,7H2,1-2H3
InChIKeyVRYSNGVSRNMORP-UHFFFAOYSA-N
XLogP4.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 54.04
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-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 66057130) is 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is COC(OC)c1csc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is VRYSNGVSRNMORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S/c1-19-13(20-2)11-8-21-12(18-11)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 317.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 66057130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).