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

C9H12F3NO3S — CID 103473401

IUPAC4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO3S/c1-14-8(15-2)6-4-17-7(13-6)3-16-5-9(10,11)12/h4,8H,3,5H2,1-2H3
InChIKeyTUQDUZXRIUNUTF-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.51
Rot. Bonds6

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

4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 103473401) has the molecular formula C9H12F3NO3S and a molecular weight of 271.26 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID103473401
Molecular FormulaC9H12F3NO3S
Molecular Weight271.26 g/mol
Exact Mass271.05
IUPAC Name4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO3S/c1-14-8(15-2)6-4-17-7(13-6)3-16-5-9(10,11)12/h4,8H,3,5H2,1-2H3
InChIKeyTUQDUZXRIUNUTF-UHFFFAOYSA-N
XLogP2.51
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.51
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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 103473401) is 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is COC(OC)c1csc(COCC(F)(F)F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is TUQDUZXRIUNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3S/c1-14-8(15-2)6-4-17-7(13-6)3-16-5-9(10,11)12/h4,8H,3,5H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 271.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103473401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).