2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole

C10H14F3NO2S — CID 53416338

IUPAC2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOC(OCC)c1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NO2S/c1-4-15-9(16-5-2)8-14-7(6(3)17-8)10(11,12)13/h9H,4-5H2,1-3H3
InChIKeyBYKQNYZDXQOHHN-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.54
Rot. Bonds5

About 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole

2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 53416338) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID53416338
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOC(OCC)c1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NO2S/c1-4-15-9(16-5-2)8-14-7(6(3)17-8)10(11,12)13/h9H,4-5H2,1-3H3
InChIKeyBYKQNYZDXQOHHN-UHFFFAOYSA-N
XLogP3.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.54
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

2-(Methoxymethyl)-4,5-dimethyl-1,3-thiazole
CID 45121866
(4,5-Dimethyl-1,3-thiazol-2-yl)methyl formate
CID 174806498

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 53416338) is 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole is CCOC(OCC)c1nc(C(F)(F)F)c(C)s1.
What is the InChIKey of 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BYKQNYZDXQOHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c1-4-15-9(16-5-2)8-14-7(6(3)17-8)10(11,12)13/h9H,4-5H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole?
2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 269.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-5-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 53416338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).