2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C18H12F3NO2S — CID 608841

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(C3COc4ccccc4O3)n2)c1
InChIInChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2
InChIKeyFPXQYPGVDNEQKU-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.34
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 608841) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID608841
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(C3COc4ccccc4O3)n2)c1
InChIInChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2
InChIKeyFPXQYPGVDNEQKU-UHFFFAOYSA-N
XLogP5.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-Difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 2742375
(3-Methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 49786283
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4-(4-ethoxyphenyl)-1,3-thiazole
CID 2842450
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole
CID 2543382
4-[4-(Difluoromethoxy)phenyl]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole
CID 2742564
(4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazol-2-yl)methanol
CID 11484925
2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-4-(3-ethoxy-phenyl)-thiazole
CID 12005668
(4-Methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 46948490
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 133722809
US9969726, Example 34
CID 130289143
2-[[4-(1,3-Dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole
CID 2742478
2-[(4-Methoxyphenoxy)methyl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 2742591

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 608841) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cccc(-c2csc(C3COc4ccccc4O3)n2)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is FPXQYPGVDNEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 363.36 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 608841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).