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

C9H12F3NO2S — CID 79955026

IUPAC4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-14-8(15-2)6-5-16-7(13-6)3-4-9(10,11)12/h5,8H,3-4H2,1-2H3
InChIKeyJMBUWZCSJUKOIO-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.93
Rot. Bonds5

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

4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole (PubChem CID 79955026) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole
PubChem CID79955026
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-14-8(15-2)6-5-16-7(13-6)3-4-9(10,11)12/h5,8H,3-4H2,1-2H3
InChIKeyJMBUWZCSJUKOIO-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.93
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-(3,3,3-trifluoropropyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole (CID 79955026) is 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole is COC(OC)c1csc(CCC(F)(F)F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The InChIKey is JMBUWZCSJUKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-14-8(15-2)6-5-16-7(13-6)3-4-9(10,11)12/h5,8H,3-4H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole has a molecular weight of 255.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole is sourced from PubChem (CID 79955026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).