(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone

C17H20BrClFNO2SSi — CID 131746755

IUPAC(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone
SMILESCC(C)(C)[Si](C)(C)OCc1csc(C(=O)c2cc(Br)c(F)cc2Cl)n1
InChIInChI=1S/C17H20BrClFNO2SSi/c1-17(2,3)25(4,5)23-8-10-9-24-16(21-10)15(22)11-6-12(18)14(20)7-13(11)19/h6-7,9H,8H2,1-5H3
InChIKeyIOUVKOXTFZVOAB-UHFFFAOYSA-N
MW464.86 g/mol
LogP6.45
Rot. Bonds5

About (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone

(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone (PubChem CID 131746755) has the molecular formula C17H20BrClFNO2SSi and a molecular weight of 464.86 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone
PubChem CID131746755
Molecular FormulaC17H20BrClFNO2SSi
Molecular Weight464.86 g/mol
Exact Mass462.98
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone
SMILESCC(C)(C)[Si](C)(C)OCc1csc(C(=O)c2cc(Br)c(F)cc2Cl)n1
InChIInChI=1S/C17H20BrClFNO2SSi/c1-17(2,3)25(4,5)23-8-10-9-24-16(21-10)15(22)11-6-12(18)14(20)7-13(11)19/h6-7,9H,8H2,1-5H3
InChIKeyIOUVKOXTFZVOAB-UHFFFAOYSA-N
XLogP6.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone 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 (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone (CID 131746755) is (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone is CC(C)(C)[Si](C)(C)OCc1csc(C(=O)c2cc(Br)c(F)cc2Cl)n1.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone?
The InChIKey is IOUVKOXTFZVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClFNO2SSi/c1-17(2,3)25(4,5)23-8-10-9-24-16(21-10)15(22)11-6-12(18)14(20)7-13(11)19/h6-7,9H,8H2,1-5H3.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone?
(5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone has a molecular weight of 464.86 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl)-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 131746755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).