2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole

C19H16FNOS3 — CID 2742478

IUPAC2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1
InChIInChI=1S/C19H16FNOS3/c20-15-3-1-2-14(10-15)17-12-25-18(21-17)11-22-16-6-4-13(5-7-16)19-23-8-9-24-19/h1-7,10,12,19H,8-9,11H2
InChIKeyLTFICEXHVYPJQW-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.01
Rot. Bonds5

About 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole

2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole (PubChem CID 2742478) has the molecular formula C19H16FNOS3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole
PubChem CID2742478
Molecular FormulaC19H16FNOS3
Molecular Weight389.54 g/mol
Exact Mass389.04
IUPAC Name2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1
InChIInChI=1S/C19H16FNOS3/c20-15-3-1-2-14(10-15)17-12-25-18(21-17)11-22-16-6-4-13(5-7-16)19-23-8-9-24-19/h1-7,10,12,19H,8-9,11H2
InChIKeyLTFICEXHVYPJQW-UHFFFAOYSA-N
XLogP6.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole (CID 2742478) is 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole is Fc1cccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1.
What is the InChIKey of 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The InChIKey is LTFICEXHVYPJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS3/c20-15-3-1-2-14(10-15)17-12-25-18(21-17)11-22-16-6-4-13(5-7-16)19-23-8-9-24-19/h1-7,10,12,19H,8-9,11H2.
What are the key properties of 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole?
2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole has a molecular weight of 389.54 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-(3-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2742478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).